SCHEMBL611192

SCHEMBL611192

C=C(c1ccccc1)c1ccc(CN2CCCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.60
HRH4 Q9H3N8 1/20 0.55
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 1/20 0.54
ESRRG P62508 1/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP2C9 P11712 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC1 Q13547 2/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
PSMB1 P20618 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB2 P49721 1/20 0.49
HDAC4 P56524 1/20 0.49
KCNH2 Q12809 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL608224 1.00 HRH3 (0.60) HRH3HRH4CYP2D6CYP2C19ESRRG
SCHEMBL607390 0.98 HRH3 (0.57) HRH3HRH4CYP2D6CYP2C19ESRRG
SCHEMBL608228 0.91 SIGMAR1 (0.61) ALDH1A1KDM4EHDAC1SIGMAR1HDAC4
SCHEMBL611956 0.86 CYP2D6 (0.68) CYP2D6ALDH1A1KDM4ECYP2C9HIF1A
SCHEMBL610431 0.86 CYP2D6 (0.68) CYP2D6ALDH1A1KDM4ECYP2C9HIF1A
SCHEMBL611443 0.84 HIF1A (0.60) HRH3ALDH1A1HIF1AHDAC1
SCHEMBL612610 0.84 CYP2D6 (0.66) CYP2D6ALDH1A1KDM4ECYP2C9HIF1A
SCHEMBL3282966 0.83 CASP1 (0.62) HRH3HRH4CYP2D6CYP2C19ALDH1A1
SCHEMBL3276896 0.81 CASP1 (0.64) HRH3HRH4CYP2D6CYP2C19ALDH1A1
SCHEMBL14338753 0.81 HDAC1 (0.61) HRH3HRH4CYP2D6CYP2C19ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239183-B1 MODIFIED CONJUGATED DIENE POLYMER, AND POLYMER COMPOSITION CONTAINING SAID POLYMER SUMITOMO CHEMICAL CO (JP) 2020-03-11 EP disclosed
US-10118973-B2 Modified conjugated diene polymer, and polymer composition containing said polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-11-06 US disclosed
EP-2857446-B1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-03-07 EP disclosed
US-20170369599-A1 MODIFIED CONJUGATED DIENE POLYMER, AND POLYMER COMPOSITION CONTAINING SAID POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-12-28 US disclosed
EP-3239183-A1 MODIFIED CONJUGATED DIENE POLYMER, AND POLYMER COMPOSITION CONTAINING SAID POLYMER Sumitomo Chemical Company, Ltd. (JP) 2017-11-01 EP disclosed
US-9790359-B2 Tread rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-10-17 US disclosed
US-9163105-B2 Conjugated diene based polymer, and polymer composition containing the polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-20 US disclosed
US-9156969-B2 Conjugated diene based polymer, and polymer composition containing the polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-13 US disclosed
US-9085652-B2 Method for producing conjugated diene-based polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-21 US disclosed
US-20150099823-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-04-09 US disclosed
US-20150011698-A1 METHOD FOR PRODUCING CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING CONJUGATED DIENE-BASED POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-08 US disclosed
US-20150005440-A1 CONJUGATED DIENE POLYMER PRODUCTION METHOD, AND CONJUGATED DIENE POLYMER COMPOSITION PRODUCTION METHOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-01 US disclosed
US-20140303319-A1 CONJUGATED DIENE BASED POLYMER, AND POLYMER COMPOSITION CONTAINING THE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-09 US disclosed
US-20140296459-A1 METHOD FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-02 US disclosed
US-20140275404-A1 CONJUGATED DIENE BASED POLYMER, AND POLYMER COMPOSITION CONTAINING THE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-18 US disclosed
US-20140275402-A1 CONJUGATED DIENE BASED POLYMER, AND POLYMER COMPOSITION CONTAINING THE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-18 US disclosed
US-8334339-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL CO., LTD. (JP) 2012-12-18 US disclosed
US-8299179-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-30 US disclosed
US-20120041136-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041134-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed