SCHEMBL3892604

SCHEMBL3892604

CC(Oc1c(-c2ccc3[nH]ccc3c2)cc(CCC(=O)O)cc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
PTGS2 P35354 1/20 0.41
MET P08581 1/20 0.39
ENPP2 Q13822 1/20 0.38
CTSK P43235 3/20 0.37
CTSS P25774 1/20 0.37
FFAR4 Q5NUL3 3/20 0.37
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
FBP1 P09467 3/20 0.35
NPC1 O15118 1/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
FEN1 P39748 2/20 0.34
GLI1 P08151 1/20 0.34
GLI2 P10070 1/20 0.34

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
SCHEMBL3892615 1.00 FFAR1 (0.42) FFAR1PTGS2METENPP2CTSK
SCHEMBL3886545 0.93 PTGS2 (0.40) FFAR1PTGS2METENPP2CTSK
SCHEMBL3895740 0.89 PTGS2 (0.43) PTGS2METENPP2CTSKCTSS
SCHEMBL3885022 0.87 FFAR1 (0.49) FFAR1FFAR4FBP1
SCHEMBL3882120 0.86 FFAR1 (0.45) FFAR1PTGS2METENPP2CTSK
SCHEMBL3893121 0.82 FFAR1 (0.41) FFAR1FFAR4
SCHEMBL3893124 0.82 FFAR1 (0.41) FFAR1FFAR4
SCHEMBL3880630 0.82 FFAR1 (0.49) FFAR1PTGS2METENPP2CTSK
SCHEMBL3887997 0.82 THRA (0.46) PTGS2ENPP2FFAR4F7F3
SCHEMBL3888001 0.82 THRA (0.46) PTGS2ENPP2FFAR4F7F3

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