SCHEMBL3885133

SCHEMBL3885133

CC(Cc1ccc(OC2CCCC2)c(-c2ccc3cnn(C)c3c2)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.44
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
SCD5 Q86SK9 1/20 0.40
CTSC P53634 1/20 0.39
GRM2 Q14416 1/20 0.38
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
TPH1 P17752 1/20 0.37
LIPG Q9Y5X9 4/20 0.37
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
P2RX3 P56373 2/20 0.36
KMO O15229 2/20 0.36
PDE4A P27815 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
SCHEMBL3888362 0.94 ITGB1 (0.41) FFAR4ITGB1ITGA4ITGB7CTSC
SCHEMBL3897875 0.93 ITGB1 (0.42) FFAR4ITGB1ITGA4ITGB7CTSC
SCHEMBL3882541 0.85 FFAR4 (0.47) FFAR4ITGB1ITGA4ITGB7SCD5
SCHEMBL3882716 0.85 FFAR4 (0.37) FFAR4ITGB1ITGA4ITGB7GRM2
SCHEMBL3881975 0.83 SCD5 (0.39) ITGB1ITGA4ITGB7SCD5GRM2
SCHEMBL3883505 0.83 ITGB1 (0.41) ITGB1ITGA4ITGB7LIPGPDE4A
SCHEMBL3892376 0.83 PDE4A (0.43) FFAR4ITGB1ITGA4TPH1ADRB1
SCHEMBL3893026 0.83 GRM2 (0.40) CTSCGRM2CCNCCDK8TPH1
SCHEMBL3884512 0.83 IKBKB (0.44) FFAR4ADRB1ADRB3KMOPDE4A
SCHEMBL3883580 0.83 BCL9 (0.40) CTSCTPH1ADRB1ADRB3KMO

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