SCHEMBL12802199

SCHEMBL12802199

C=CCc1ccc(CC)cc1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 5/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 1/20 0.39
CYP3A4 P08684 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
XDH P47989 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPT P10636 4/20 0.38
CYP1A2 P05177 2/20 0.38
TRPA1 O75762 1/20 0.38
GABRA1 P14867 6/20 0.37
GABRB2 P47870 6/20 0.37
CNR2 P34972 4/20 0.37
ALOX5 P09917 4/20 0.37
MEN1 O00255 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
SCHEMBL12802037 0.92 MAPK1 (0.40) MAPK1ALDH1A1PPARGPPARDPPARA
SCHEMBL12802185 0.86 ALDH1A1 (0.48) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL10634220 0.85 ALDH1A1 (0.37) MAPK1ALDH1A1PPARGPPARDPPARA
SCHEMBL19316045 0.84 SLC6A2 (0.40) MAPK1ALDH1A1PPARGPPARDPPARA
SCHEMBL8804799 0.81 BACE1 (0.36) MAPK1ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL5882568 0.81 GABRA1 (0.61) ALDH1A1PPARGPPARDCYP3A4XDH
SCHEMBL23174982 0.81 TRPA1 (0.53) MAPK1ALDH1A1PPARGPPARDCYP3A4
Ethylene SCHEMBL27875997 0.81 TRPA1 (0.44) MAPK1ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL444673 0.80 TRPA1 (0.48) MAPK1ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL9629445 0.80 L3MBTL1 (0.49) MAPK1ALDH1A1SMN1; SMN2TP53MAPT

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-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