SCHEMBL611341

SCHEMBL611341

C=C(C)c1ccc(CCN(CCC)CCC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.53
DRD3 P35462 4/20 0.53
DRD1 P21728 2/20 0.53
DRD4 P21917 2/20 0.53
DRD5 P21918 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KDM4E B2RXH2 1/20 0.51
PMP22 Q01453 1/20 0.51
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR1A P08908 1/20 0.42

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
SCHEMBL611412 0.90 THRA (0.52) DRD2DRD3DRD1DRD4DRD5
SCHEMBL611594 0.87 ACHE (0.44) DRD2DRD3DRD1DRD4DRD5
SCHEMBL611373 0.84 HRH3 (0.60) CYP2D6
SCHEMBL1363306 0.81 THRB (0.55) KDM4E
SCHEMBL611219 0.80 DRD2 (0.62) DRD2DRD3DRD1DRD4DRD5
SCHEMBL608233 0.79 HRH3 (0.57)
SCHEMBL608442 0.79 OPRK1 (0.49) DRD2DRD3ADRA1AADRA1BKDM4E
SCHEMBL6704209 0.78 THRB (0.44) HSD17B10
SCHEMBL1204926 0.77 DRD2 (0.65) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2536910 0.77 THRA (0.59) CYP3A4HIF1AHSD17B10KDM4E

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 31 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
CN-104045769-B Conjugated diene polymer, and the polymer composition containing the polymer 住友化学株式会社 2018-10-30 CN disclosed
CN-107001491-B Modified conjugated diene polymer and the polymer composition containing the polymer 住友化学株式会社 2018-07-06 CN disclosed
EP-2857446-B1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-03-07 EP disclosed
CN-104045768-B Conjugated diene polymer, and the polymer composition containing the polymer 住友化学株式会社 2018-02-16 CN disclosed
CN-104098744-B Conjugated diene polymer, and the polymer composition containing the polymer 住友化学株式会社 2018-02-16 CN 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-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-8367765-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-05 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-20120041135-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-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
US-20110275756-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 US disclosed