SCHEMBL12802010

SCHEMBL12802010

C=Cc1c(CCCCC)cccc1CCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
ALOX5 P09917 1/20 0.47
PTGS2 P35354 1/20 0.47
BID P55957 3/20 0.45
MCL1 Q07820 3/20 0.45
BCL2L1 Q07817 2/20 0.45
BAK1 Q16611 2/20 0.45
KAT8 Q9H7Z6 2/20 0.45
SAE1 Q9UBE0 2/20 0.45
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
EP300 Q09472 1/20 0.45
KAT2A Q92830 1/20 0.45
KAT2B Q92831 1/20 0.45
KAT5 Q92993 1/20 0.45
KCNH2 Q12809 2/20 0.44
F7 P08709 3/20 0.42
F3 P13726 3/20 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
SCHEMBL12802299 0.98 LIPG (0.52) LIPGTHRATHRBALOX5PTGS2
SCHEMBL12802233 0.94 CYP3A4 (0.42) LIPGTHRATHRBALOX5PTGS2
SCHEMBL21055952 0.89 LIPG (0.43) LIPGTHRATHRBALOX5PTGS2
SCHEMBL10743985 0.87 LIPG (0.46) LIPGTHRATHRBALOX5PTGS2
SCHEMBL5150180 0.87 LIPG (0.46) LIPGTHRATHRBALOX5PTGS2
SCHEMBL8062103 0.87 LIPG (0.46) LIPGTHRATHRBALOX5PTGS2
SCHEMBL6939140 0.87 LIPG (0.46) LIPGTHRATHRBALOX5PTGS2
SCHEMBL12802671 0.85 DAO (0.36) LIPGTHRATHRBALOX5PTGS2
SCHEMBL677510 0.83 LIPG (0.48) LIPGTHRATHRBALOX5PTGS2
Hydrochloric Acid SCHEMBL28825239 0.83 THRA (0.40) LIPGTHRATHRBALOX5PTGS2

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-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
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