SCHEMBL2052191

SCHEMBL2052191

Cc1cccc2c1[CH]c1c(C)cccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.43
CYP1A2 P05177 1/20 0.43
ACHE P22303 3/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
DAO P14920 1/20 0.37
TRPA1 O75762 2/20 0.36
CD44 P16070 1/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL216981 0.83 ACHE (0.39) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL7200335 0.82 GABRA1 (0.48) CYP2A6CYP1A2TSHRALDH1A1CA1
SCHEMBL598761 0.74 TSHR (0.53) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL1025199 0.70 CYP2A6 (0.38) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL218508 0.69 TRPA1 (0.52) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL30834716 0.69 TRPA1 (0.52) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL4161420 0.69 CA1 (0.48) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL11458432 0.69 CYP1A2 (0.47) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL5080290 0.69 CYP2A6 (0.36) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL197690 0.67 ACHE (0.64) CYP2A6CYP1A2ACHETSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152463-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-23 US disclosed
US-20100093957-A1 METHOD FOR PRODUCING BUTENE-ETHYLENE COPOLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-15 US disclosed
EP-2123685-A1 METHOD FOR PRODUCING BUTENE-ETHYLENE COPOLYMER Sumitomo Chemical Company, Limited (JP) 2009-11-25 EP disclosed