SCHEMBL2044259

SCHEMBL2044259

CCc1ccccc1-c1ccc2c(c1)[CH]c1cc(-c3ccccc3CC)ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.49
ALOX5AP P20292 2/20 0.46
FEN1 P39748 2/20 0.46
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ABL1 P00519 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPRC P08575 1/20 0.37
KMT2A Q03164 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
SCHEMBL2046637 0.86 PPARA (0.43) TRPA1ALOX5APFEN1PPARAPTPRC
SCHEMBL2051083 0.83 PPARA (0.41) TRPA1ALOX5APFEN1PPARAPTGER1
SCHEMBL11647426 0.78 PTGER1 (0.53) TRPA1ALOX5APFEN1CSNK2A2CSNK2B
SCHEMBL1482802 0.78 PTPRC (0.55) TRPA1ALOX5APFEN1CSNK2A2CSNK2B
SCHEMBL1481199 0.76 PTPRC (0.58) TRPA1ALOX5APFEN1PPARGNPC1
SCHEMBL1906811 0.76 TRPA1 (0.48) TRPA1ALOX5APFEN1CSNK2A2CSNK2B
SCHEMBL10604910 0.76 TRPA1 (0.50) TRPA1ALOX5APFEN1CSNK2A2CSNK2B
SCHEMBL11018452 0.76 TRPA1 (0.58) TRPA1ALOX5APFEN1PPARGPPARA
SCHEMBL15326993 0.75 TLR8 (0.49) TRPA1ALOX5APFEN1CYP2D6
SCHEMBL2050791 0.75 CA12 (0.47) TRPA1ALOX5APFEN1ALDH1A1MAPK1

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 1 patent. 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