SCHEMBL3890876

SCHEMBL3890876

Cn1ccc2cc(-c3cc(CCC(=O)O)cc([N+](=O)[O-])c3OC3CCCC3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
FFAR4 Q5NUL3 8/20 0.38
FFAR1 O14842 3/20 0.36
CHRNA7 P36544 4/20 0.36
CCNC P24863 2/20 0.34
CDK8 P49336 2/20 0.34
AR P10275 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL3890870 1.00 THRA (0.43) THRATHRBFFAR4FFAR1CHRNA7
SCHEMBL3888377 0.99 THRA (0.45) THRATHRBFFAR4FFAR1CHRNA7
SCHEMBL3888373 0.99 THRA (0.45) THRATHRBFFAR4FFAR1CHRNA7
SCHEMBL3882421 0.92 CHRNA7 (0.37) THRATHRBFFAR4CHRNA7CCNC
SCHEMBL3883543 0.91 CHRNA7 (0.36) THRATHRBCHRNA7CCNCCDK8
SCHEMBL3896107 0.90 THRB (0.42) THRATHRBFFAR4FFAR1PPARD
SCHEMBL3896105 0.90 THRB (0.42) THRATHRBFFAR4FFAR1PPARD
SCHEMBL3883910 0.89 THRB (0.43) THRATHRBFFAR4FFAR1PPARD
SCHEMBL3883914 0.89 THRB (0.43) THRATHRBFFAR4FFAR1PPARD
SCHEMBL3888709 0.89 FFAR4 (0.37) FFAR4FFAR1CHRNA7CCNCCDK8

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