SCHEMBL610771

SCHEMBL610771

C=CC(=C)CCc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.50
CYP19A1 P11511 2/20 0.50
CHRNA7 P36544 2/20 0.50
TBXAS1 P24557 9/20 0.49
CYP2A6 P11509 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH1 P35367 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL610066 0.82 NAPRT (0.55) ESR1CYP19A1CHRNA7CYP2A6CYP1A2
SCHEMBL13357660 0.82 ESR1 (0.54) ESR1CYP19A1CHRNA7TBXAS1CYP2A6
SCHEMBL8476744 0.81 TBXAS1 (0.55) ESR1CYP19A1CHRNA7TBXAS1CYP2A6
SCHEMBL608546 0.78 LOXL2 (0.43) TDP1L3MBTL1HRH1CYP1A2CYP3A4
SCHEMBL27370076 0.77 KEAP1 (0.50) CYP2A6TDP1
SCHEMBL31707492 0.76 OPRM1 (0.39)
SCHEMBL31707434 0.75 THRB (0.39) ESR1
SCHEMBL7821850 0.75 CHRNA7 (0.49) ESR1CYP19A1CHRNA7TBXAS1CYP2A6
SCHEMBL29485692 0.74 CHRNA7 (0.74) CHRNA7TBXAS1CYP2A6TDP1L3MBTL1
SCHEMBL724866 0.74 CHRNA7 (0.74) CHRNA7TBXAS1CYP2A6TDP1L3MBTL1

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 30 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-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
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
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-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-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