SCHEMBL3893124

SCHEMBL3893124

CC(Oc1c(-c2ccc3c(ccn3C)c2)cc(CCC(=O)O)cc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 3/20 0.36
GCGR P47871 1/20 0.34
CCNC P24863 2/20 0.34
CDK8 P49336 2/20 0.34
POLB P06746 1/20 0.34
PPARG P37231 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
HSD11B1 P28845 1/20 0.33
AR P10275 1/20 0.33
SERPINE1 P05121 1/20 0.33
PLA2G4A P47712 1/20 0.33
FAAH O00519 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
SCHEMBL3893121 1.00 FFAR1 (0.41) FFAR1FFAR4GCGRCCNCCDK8
SCHEMBL3882430 0.93 PTPN1 (0.37) FFAR1GCGRCCNCCDK8POLB
SCHEMBL3882427 0.89 CCNC (0.33) CCNCCDK8POLBPPARGHSD11B1
SCHEMBL3885022 0.87 FFAR1 (0.49) FFAR1FFAR4CCNCCDK8
SCHEMBL3884526 0.86 FFAR1 (0.44) FFAR1FFAR4GCGRCCNCCDK8
SCHEMBL3892615 0.82 FFAR1 (0.42) FFAR1FFAR4
SCHEMBL3892604 0.82 FFAR1 (0.42) FFAR1FFAR4
SCHEMBL3888703 0.82 FFAR4 (0.37) FFAR1FFAR4CCNCCDK8NR1H2
SCHEMBL3888709 0.82 FFAR4 (0.37) FFAR1FFAR4CCNCCDK8NR1H2
SCHEMBL3890876 0.80 THRA (0.43) FFAR1FFAR4CCNCCDK8AR

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