SCHEMBL12802017

SCHEMBL12802017

C=CCc1ccc(CCCC)cc1CCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.42
THRB P10828 5/20 0.42
SKP2 Q13309 1/20 0.42
CNR2 P34972 2/20 0.42
TYR P14679 1/20 0.40
CNR1 P21554 1/20 0.39
HTT P42858 3/20 0.38
NPC1 O15118 2/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
RAD52 P43351 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 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
SCHEMBL12802011 0.93 THRA (0.42) THRATHRBSKP2CNR2TYR
SCHEMBL12802174 0.88 CNR2 (0.46) THRATHRBCNR2TYRCNR1
SCHEMBL12802078 0.86 CNR2 (0.40) THRBCNR2CNR1NPSR1HPGD
SCHEMBL12802068 0.85 TSHR (0.42) THRATHRBSKP2TYRHTT
SCHEMBL12802305 0.85 THRB (0.41) THRATHRBSKP2TYRHTT
SCHEMBL12802195 0.85 TSHR (0.42) THRATHRBSKP2TYRHTT
SCHEMBL12802114 0.85 TSHR (0.42) THRATHRBSKP2TYRHTT
SCHEMBL12802245 0.85 THRB (0.41) THRATHRBSKP2TYRHTT
SCHEMBL28662904 0.83 HTT (0.51) THRATHRBCNR2TYRCNR1
SCHEMBL9485320 0.83 SKP2 (0.52) SKP2TYRHTTNPC1MAPK1

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