SCHEMBL12802103

SCHEMBL12802103

C=CCCCc1cccc(CCCC)c1CCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TLR8 Q9NR97 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
LIPG Q9Y5X9 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
BID P55957 5/20 0.35
BCL2L1 Q07817 5/20 0.35
MCL1 Q07820 5/20 0.35
BAK1 Q16611 5/20 0.35
MMP2 P08253 2/20 0.35
F7 P08709 2/20 0.35
F3 P13726 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL12802242 1.00 TSHR (0.45) TSHRALDH1A1TLR8CYP3A4CYP2D6
SCHEMBL12802543 0.93 TSHR (0.40) TSHRALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL12802082 0.91 TSHR (0.41) TSHRALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL12802153 0.91 TSHR (0.41) TSHRALDH1A1TLR8THRATHRB
SCHEMBL12802211 0.89 TSHR (0.40) TSHRALDH1A1TLR8THRATHRB
SCHEMBL8063252 0.87 TSHR (0.50) TSHRALDH1A1TLR8CYP3A4CYP2D6
SCHEMBL12802395 0.86 GABRA1 (0.42) CYP3A4CYP2D6CYP2C9THRATHRB
SCHEMBL12802315 0.85 GABRA1 (0.39) TSHRALDH1A1TLR8THRATHRB
SCHEMBL819273 0.84 LIPG (0.45) TLR8CYP3A4CYP2D6CYP2C9LIPG
Ammonia Solution, Strong SCHEMBL9810933 0.82 LIPG (0.44) TLR8CYP3A4CYP2D6CYP2C9LIPG

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 8 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-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-20140088256-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING POLYMER COMPOSITION ZEON CORPORATION (JP) 2014-03-27 US disclosed
CN-102731722-A Process for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, and polymer composition SUMITOMO CHEMICAL CO 2012-10-17 CN 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