SCHEMBL3889253

SCHEMBL3889253

CC(Cc1ccc(OC2CCCCCC2)c(-c2ccc3[nH]ncc3c2)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.40
TRPA1 O75762 5/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
CTSC P53634 2/20 0.38
ROCK2 O75116 2/20 0.38
DYRK1A Q13627 2/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
CDK1 P06493 1/20 0.38
FGFR1 P11362 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38
MARK3 P27448 1/20 0.38
MAPK1 P28482 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL3881923 1.00 MAPK14 (0.40) MAPK14TRPA1BCL9CTNNB1CTSC
SCHEMBL3891048 0.99 MAPK14 (0.41) MAPK14TRPA1BCL9CTNNB1CTSC
SCHEMBL3883580 0.92 BCL9 (0.40) BCL9CTNNB1CTSCFGFR1ADRB1
SCHEMBL3884002 0.88 F11 (0.40) MAPK14TRPA1CTSCROCK2DYRK1A
SCHEMBL3884035 0.88 TRPA1 (0.42) MAPK14TRPA1ROCK2DYRK1AAURKA
SCHEMBL3883671 0.85 PTGS2 (0.43) ADRB1ADRB3KMOTPH1
SCHEMBL3882042 0.84 PTGS2 (0.43) ADRB1ADRB3KMOTPH1
SCHEMBL3884902 0.84 FFAR4 (0.48) MAPK14TRPA1BCL9CTNNB1CTSC
SCHEMBL3881066 0.84 FFAR4 (0.48) MAPK14TRPA1BCL9CTNNB1CTSC
SCHEMBL3893294 0.84 MAPK14 (0.41) MAPK14TRPA1ROCK2DYRK1AAURKA

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