SCHEMBL2744188

SCHEMBL2744188

CN(C)C(C)(C=Cc1ccccc1)C=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
RELA Q04206 1/20 0.47
MAOB P27338 2/20 0.42
GRM5 P41594 1/20 0.41
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGFR P00533 1/20 0.39
CHAT P28329 2/20 0.39
KCNN4 O15554 1/20 0.38
TRPA1 O75762 2/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CYP19A1 P11511 1/20 0.37
MAOA P21397 1/20 0.37
LMNA P02545 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPK1 P28482 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
SCHEMBL2744182 1.00 CYP2C19 (0.48) CYP2C19RELAMAOBGRM5NPC1
SCHEMBL26917 0.77 CYP2C19 (0.55) CYP2C19RELAMAOBEGFRCHAT
Benzene SCHEMBL27345987 0.77 CYP2C19 (0.55) CYP2C19RELAMAOBEGFRCHAT
SCHEMBL6286942 0.77 CYP2C19 (0.55) CYP2C19RELAMAOBEGFRCHAT
SCHEMBL28939716 0.77 CYP2C19 (0.55) CYP2C19RELAMAOBEGFRCHAT
SCHEMBL3259240 0.77 CYP2C19 (0.55) CYP2C19RELAMAOBEGFRCHAT
SCHEMBL5664878 0.75 CYP2C19 (0.53) CYP2C19RELAMAOBNPC1EGFR
SCHEMBL29171014 0.75 CYP2C19 (0.53) CYP2C19RELAMAOBEGFRCHAT
Water SCHEMBL15415928 0.75 CYP2C19 (0.53) CYP2C19RELAMAOBEGFRCHAT
SCHEMBL5633111 0.74 CYP2C19 (0.44) CYP2C19RELAMAOBGRM5NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178009-B2 Slurry for secondary battery electrode, electrode for secondary battery, process for production of electrode for secondary battery, and secondary battery SUMITOMO BAKELITE CO., LTD. (JP) 2012-05-15 US disclosed
US-20100075222-A1 SLURRY FOR SECONDARY BATTERY ELECTRODE, ELECTRODE FOR SECONDARY BATTERY, PROCESS FOR PRODUCTION OF ELECTRODE FOR SECONDARY BATTERY, AND SECONDARY BATTERY SUMITOMO BAKELITE CO., LTD. (JP) 2010-03-25 US disclosed