SCHEMBL11666646

SCHEMBL11666646

COc1cccc(C=CC(=O)Nc2ccccc2C(=O)O)c1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.82
TRPM8 Q7Z2W7 3/20 0.82
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
NPC1 O15118 4/20 0.63
RAB9A P51151 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
ALDH1A1 P00352 2/20 0.63
TP53 P04637 2/20 0.63
CYP3A4 P08684 2/20 0.63
HPGD P15428 2/20 0.63
HIF1A Q16665 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
HSD17B10 Q99714 1/20 0.63
GAA P10253 1/20 0.63
KDM4E B2RXH2 1/20 0.63
ABCC4 O15439 1/20 0.63
HPGDS O60760 1/20 0.63

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
SCHEMBL11666647 1.00 TRPA1 (0.82) TRPA1TRPM8MEN1KMT2ANPC1
SCHEMBL8060572 0.90 TRPA1 (1.00) TRPA1TRPM8MEN1KMT2ANPC1
SCHEMBL8060574 0.90 TRPA1 (1.00) TRPA1TRPM8MEN1KMT2ANPC1
SCHEMBL2779875 0.88 TRPA1 (0.82) TRPA1TRPM8MEN1KMT2ANPC1
SCHEMBL2779873 0.88 TRPA1 (0.82) TRPA1TRPM8MEN1KMT2ANPC1
SCHEMBL2779698 0.83 TRPA1 (0.78) TRPA1TRPM8MEN1KMT2ANPC1
SCHEMBL2780021 0.83 TRPA1 (0.70) TRPA1TRPM8MEN1KMT2ANPC1
SCHEMBL2779695 0.83 TRPA1 (0.78) TRPA1TRPM8MEN1KMT2ANPC1
SCHEMBL2780018 0.83 TRPA1 (0.70) TRPA1TRPM8MEN1KMT2ANPC1
SCHEMBL10750872 0.82 ALDH1A1 (0.78) TRPA1TRPM8MEN1KMT2ANPC1

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
JP-53084937-A None JP disclosed
JP-S5384937-A PREPARATION OF NOVEL AROMATIC CARBOXYLIC ACID AMIDE DERIVATIVES KISSEI PHARMACEUT CO LTD 1978-07-26 JP disclosed