SCHEMBL12802145

SCHEMBL12802145

C=Cc1cc(CCCCC)c(CCCCC)c(CCCCC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.38
ALOX5 P09917 6/20 0.37
TYR P14679 2/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRA P10827 5/20 0.36
THRB P10828 5/20 0.36
PTGS2 P35354 5/20 0.34
LIPG Q9Y5X9 1/20 0.34
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL12802598 0.98 ALOX5 (0.40) CYP19A1ALOX5TYRCYP3A4MEN1
SCHEMBL12802212 0.94 HTT (0.38) CYP19A1ALOX5TYRCYP3A4MEN1
SCHEMBL12802357 0.82 ALDH1A1 (0.31) TP53TDP1
SCHEMBL12802596 0.79 TYR (0.43) ALOX5TYRCYP3A4MEN1HTT
SCHEMBL29211013 0.79 HIF1A (0.41) CYP19A1ALOX5TYRCYP3A4MEN1
SCHEMBL12802075 0.78 TYR (0.46) ALOX5TYRCYP3A4MEN1HTT
SCHEMBL1186746 0.78 ALOX5 (0.40) CYP19A1ALOX5TYRCYP3A4MEN1
SCHEMBL5456860 0.77 EGFR (0.50) ALOX5TYRCYP3A4MEN1HTT
SCHEMBL12802256 0.76 PTGS2 (0.50) CYP3A4MEN1KMT2ATP53THRA
SCHEMBL1186919 0.76 ALOX5 (0.43) ALOX5TYRCYP3A4MEN1HTT

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