SCHEMBL12802152

SCHEMBL12802152

C=CC(=C)CCc1ccc(CCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.55
LPL P06858 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
THRA P10827 6/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PLK1 P53350 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
CA2 P00918 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 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
SCHEMBL31707434 0.89 THRB (0.39) THRBTHRAKMT2AMEN1BCHE
SCHEMBL12802473 0.89 THRB (0.51) THRBLPLLIPGTHRAKMT2A
SCHEMBL12802085 0.89 THRB (0.57) THRBTHRAKMT2AMEN1PLK1
SCHEMBL12802378 0.88 TAAR1 (0.43) THRBLPLLIPGTHRAKMT2A
SCHEMBL12802094 0.85 THRB (0.41) THRBLPLLIPGCNR1CNR2
SCHEMBL12802039 0.84 THRB (0.55) THRBLPLLIPGTHRAKMT2A
SCHEMBL12802534 0.84 CYP1A2 (0.43) THRBTHRAL3MBTL1ALDH1A1GPR84
SCHEMBL12802474 0.81 THRB (0.57) THRBTHRAKMT2AMEN1PLK1
SCHEMBL27892723 0.80 ABAT (0.41) THRBKMT2AL3MBTL1ALDH1A1BCHE
SCHEMBL27370076 0.79 KEAP1 (0.50) ALDH1A1MAPTCA2

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 6 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
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