SCHEMBL12802135

SCHEMBL12802135

C=CCc1ccc(CCC)c(CCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 1/20 0.46
XDH P47989 1/20 0.46
MAPT P10636 4/20 0.44
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 1/20 0.44
GABRA1 P14867 7/20 0.44
GABRB2 P47870 7/20 0.44
CNR2 P34972 5/20 0.44
CNR1 P21554 3/20 0.44
MEN1 O00255 3/20 0.44
GAA P10253 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH2 P05091 1/20 0.44
AKR1B1 P15121 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL12802174 0.89 CNR2 (0.46) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL12802078 0.87 CNR2 (0.40) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL12802029 0.87 CNR2 (0.40) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL20058893 0.84 ALDH1A1 (0.42) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL12802150 0.83 CNR1 (0.36) ALDH1A1PPARGPPARDPPARAGABRA1
SCHEMBL12802113 0.81 CNR1 (0.39) ALDH1A1GABRA1GABRB2CNR2CNR1
SCHEMBL12802142 0.81 CNR1 (0.39) ALDH1A1GABRA1GABRB2CNR2CNR1
SCHEMBL12802165 0.80 TSHR (0.39) ALDH1A1CNR2CNR1MEN1KMT2A
SCHEMBL12802185 0.80 ALDH1A1 (0.48) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL9740304 0.79 CNR1 (0.50) GABRA1GABRB2CNR2CNR1ALOX5

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