SCHEMBL12802457

SCHEMBL12802457

C=CCCc1cc(CCCC)cc(CCCC)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PTGS2 P35354 3/20 0.42
CYP3A4 P08684 1/20 0.42
THRA P10827 3/20 0.42
THRB P10828 3/20 0.42
GPR84 Q9NQS5 2/20 0.41
SKP2 Q13309 1/20 0.37

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
SCHEMBL12802455 0.91 TSHR (0.54) TSHRALDH1A1NPC1HPGDMAPK1
SCHEMBL12802506 0.88 LPL (0.45) TSHRALDH1A1NPC1HPGDMAPK1
SCHEMBL4636535 0.87 THRB (0.55) TSHRALDH1A1HPGDPTGS2CYP3A4
SCHEMBL12802272 0.86 TSHR (0.43) TSHRALDH1A1PTGS2CYP3A4THRB
SCHEMBL12802012 0.83 NPC1 (0.45) TSHRALDH1A1NPC1HPGDMAPK1
SCHEMBL12802203 0.83 TSHR (0.48) TSHRALDH1A1NPC1HPGDMAPK1
SCHEMBL12802091 0.82 TSHR (0.38) TSHRALDH1A1PTGS2
SCHEMBL2002090 0.81 HPGD (0.61) ALDH1A1NPC1HPGDMAPK1HTT
SCHEMBL12802006 0.80 TSHR (0.46) TSHRALDH1A1NPC1HPGDMAPK1
SCHEMBL3158630 0.79 RARB (0.42) TSHRNPC1RAB9ATHRATHRB

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-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
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