SCHEMBL12802113

SCHEMBL12802113

C=CCCc1cc(CCC)ccc1CCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
THRB P10828 2/20 0.39
ALOX5 P09917 2/20 0.38
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
TSHR P16473 2/20 0.33
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
BACE1 P56817 1/20 0.32
DHFR P00374 1/20 0.32
MTNR1A P48039 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
VDR P11473 1/20 0.31

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
SCHEMBL12802142 1.00 CNR1 (0.39) CNR1CNR2THRBALOX5GABRA1
SCHEMBL12802150 0.95 CNR1 (0.36) CNR1CNR2THRBALOX5GABRA1
SCHEMBL12802146 0.90 TSHR (0.38) CNR1CNR2THRBALOX5GABRA1
SCHEMBL12802270 0.90 TSHR (0.38) CNR1CNR2THRBALOX5GABRA1
SCHEMBL12802165 0.88 TSHR (0.39) CNR1CNR2THRBALOX5TSHR
SCHEMBL12802305 0.86 THRB (0.41) THRBTSHRALDH1A1
SCHEMBL12802245 0.86 THRB (0.41) THRBTSHRALDH1A1
SCHEMBL9740304 0.84 CNR1 (0.50) CNR1CNR2ALOX5GABRA1GABRB2
SCHEMBL12802376 0.84 TYR (0.40) THRBALOX5TSHRALDH1A1
SCHEMBL12802078 0.84 CNR2 (0.40) CNR1CNR2THRBALOX5GABRA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9587042-B2 Process for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, and polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-03-07 US disclosed
CN-102731722-B For the production of the method for modified conjugated diene polymer, modified conjugated diene polymer and polymer composition SUMITOMO CHEMICAL CO., LTD. (JP) 2016-03-16 CN disclosed
US-8933165-B2 Method for producing modified conjugated diene-based polymer, and method for producing polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-13 US disclosed
US-8835564-B2 Method for producing modified conjugated diene-based polymer, and method for producing polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-16 US disclosed
US-20140088256-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING POLYMER COMPOSITION ZEON CORPORATION (JP) 2014-03-27 US disclosed
US-20140088242-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING POLYMER COMPOSITION ZEON CORPORATION (JP) 2014-03-27 US disclosed
US-20120252966-A1 PROCESS FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, MODIFIED CONJUGATED DIENE-BASED POLYMER, AND POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED 2012-10-04 US disclosed