SCHEMBL3885022

SCHEMBL3885022

CC(Oc1c(-c2ccc3ccccc3c2)cc(CCC(=O)O)cc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.49
▸ FFAR4 Q5NUL3 4/20 0.44
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ AKR1C3 P42330 3/20 0.39
▸ AKR1C2 P52895 3/20 0.39
▸ TPH1 P17752 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ PTGES O14684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ FBP1 P09467 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 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
SCHEMBL3883628 0.92 CCNC (0.45) FFAR1FFAR4CCNCCDK8AKR1C3
SCHEMBL3885360 0.91 AKR1C3 (0.43) FFAR1FFAR4CCNCCDK8AKR1C3
SCHEMBL3882257 0.88 AKR1C3 (0.41) FFAR1AKR1C3AKR1C2TPH1
SCHEMBL3892604 0.87 FFAR1 (0.42) FFAR1FFAR4FBP1
SCHEMBL3892615 0.87 FFAR1 (0.42) FFAR1FFAR4FBP1
SCHEMBL3893121 0.87 FFAR1 (0.41) FFAR1FFAR4CCNCCDK8
SCHEMBL3893124 0.87 FFAR1 (0.41) FFAR1FFAR4CCNCCDK8
SCHEMBL3682322 0.86 FFAR4 (0.47) FFAR1FFAR4CCNCCDK8HDAC1
SCHEMBL3885715 0.85 FFAR4 (0.43) FFAR1FFAR4CCNCCDK8AKR1C3
SCHEMBL3882414 0.84 FFAR1 (0.53) FFAR1FFAR4CCNCCDK8AKR1C3

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
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