SCHEMBL3908501

SCHEMBL3908501

Cc1cccc(C(C=O)c2cccc(Cl)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.40
ACP3 P15309 2/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
ACHE P22303 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AOC3 Q16853 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSP90AA1 P07900 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL9729373 0.89 ACHE (0.46) ACP3ACHEALDH1A1GAAL3MBTL1
SCHEMBL9729576 0.89 ACP3 (0.46) ACP3ALDH1A1AOC3MEN1KMT2A
SCHEMBL1515743 0.84 ACP3 (0.50) ACP3ACHEGAAL3MBTL1AOC3
SCHEMBL1515745 0.84 ACP3 (0.50) TRPM8ACP3ALDH1A1MEN1KMT2A
Methyl Alcohol SCHEMBL11234402 0.83 ACP3 (0.50) TRPM8ACP3ALDH1A1MEN1KMT2A
SCHEMBL11152058 0.82 ACP3 (0.41) ACP3ALDH1A1AOC3MEN1KMT2A
SCHEMBL21778081 0.82 ACP3 (0.41) ACP3ALDH1A1AOC3MEN1KMT2A
SCHEMBL3905384 0.79 ACP3 (0.40) TRPM8ACP3ALDH1A1GAAAOC3
SCHEMBL18240783 0.79 TRPM8 (0.43) TRPM8ACP3KCNK3KCNK9ALDH1A1
SCHEMBL18240782 0.79 TRPM8 (0.43) TRPM8ACP3KCNK3KCNK9ALDH1A1

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
EP-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed