SCHEMBL3884512

SCHEMBL3884512

CC(Cc1ccc(OC2CCCC2)c(-c2ccc3cnccc3c2)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.44
CHUK O15111 9/20 0.44
LCK P06239 2/20 0.43
ROCK1 Q13464 2/20 0.43
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
FFAR4 Q5NUL3 1/20 0.40
PDE4A P27815 5/20 0.39
ADRB2 P07550 1/20 0.38
KMO O15229 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
SCHEMBL3893626 0.99 IKBKB (0.43) IKBKBCHUKLCKROCK1ADRB1
SCHEMBL3895963 0.88 IKBKB (0.42) IKBKBCHUKLCKROCK1FFAR4
SCHEMBL3892376 0.88 PDE4A (0.43) ADRB1ADRB3FFAR4PDE4A
SCHEMBL3887129 0.87 ADRB1 (0.44) ADRB1ADRB3FFAR4PDE4AKMO
SCHEMBL3883590 0.84 FFAR4 (0.53) IKBKBCHUKLCKROCK1ADRB1
SCHEMBL3883580 0.83 BCL9 (0.40) ADRB1ADRB3PDE4AKMO
SCHEMBL3891048 0.83 MAPK14 (0.41) ROCK1
SCHEMBL3884680 0.83 FFAR4 (0.52) IKBKBCHUKLCKROCK1ADRB1
SCHEMBL3885362 0.83 S1PR1 (0.37) ADRB1ADRB3FFAR4PDE4AKMO
SCHEMBL3889253 0.83 MAPK14 (0.40) ROCK1ADRB1ADRB3KMO

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