SCHEMBL3893294

SCHEMBL3893294

CC(Cc1cc(F)c(OC2CCCC2)c(-c2ccc3[nH]ncc3c2)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.41
APP P05067 1/20 0.40
TRPA1 O75762 7/20 0.40
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ROCK2 O75116 4/20 0.38
ROCK1 Q13464 4/20 0.38
AURKA O14965 2/20 0.37
CDK1 P06493 2/20 0.37
PRKACA P17612 2/20 0.37
RPS6KB1 P23443 2/20 0.37
CDK2 P24941 2/20 0.37
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
CDK5 Q00535 2/20 0.37
DYRK1A Q13627 2/20 0.37
CDC42BPA Q5VT25 2/20 0.37
AURKB Q96GD4 2/20 0.37
SGK2 Q9HBY8 2/20 0.37
DAPK3 O43293 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
SCHEMBL3881095 0.85 THRA (0.47) MAPK14TRPA1ROCK2ROCK1FFAR4
SCHEMBL3882443 0.85 THRA (0.48) MAPK14TRPA1ROCK2ROCK1CDK1
SCHEMBL3891048 0.85 MAPK14 (0.41) MAPK14TRPA1ROCK2ROCK1AURKA
SCHEMBL3881923 0.84 MAPK14 (0.40) MAPK14TRPA1ROCK2ROCK1AURKA
SCHEMBL3889253 0.84 MAPK14 (0.40) MAPK14TRPA1ROCK2ROCK1AURKA
SCHEMBL3885580 0.83 MAPK14 (0.42) MAPK14TRPA1ROCK2ROCK1GSK3B
SCHEMBL3882153 0.83 LIPG (0.41) APPPTGS1PTGS2ARCCNC
SCHEMBL3888233 0.79 TRPA1 (0.40) MAPK14TRPA1ROCK2ROCK1AURKA
SCHEMBL3883580 0.78 BCL9 (0.40) FGFR1AR
SCHEMBL3884002 0.77 F11 (0.40) MAPK14TRPA1ROCK2ROCK1AURKA

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
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed