SCHEMBL3881968

SCHEMBL3881968

CC(Cc1cc(-c2ccc3[nH]ccc3c2)c(OC2Cc3ccccc3C2)c([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
ENPP2 Q13822 1/20 0.35
MET P08581 1/20 0.34
ABCB1 P08183 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
FEN1 P39748 2/20 0.33
NPC1 O15118 1/20 0.32
F7 P08709 1/20 0.32
CTSK P43235 3/20 0.32
VCP P55072 1/20 0.32
CTSS P25774 1/20 0.32
PLA2G10 O15496 2/20 0.31
PLA2G2A P14555 2/20 0.31

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
SCHEMBL3882109 0.89 PTGS2 (0.41) PTGS2ENPP2
SCHEMBL3882740 0.89 AKR1C3 (0.36) PTGER1PTGER4PTGER3PTGER2PLA2G10
SCHEMBL3884624 0.89 PTGS2 (0.40) PTGS2ENPP2
SCHEMBL3883918 0.87 TRPA1 (0.38)
SCHEMBL3882470 0.87 PTGS2 (0.41) PTGS2ENPP2METPTGER1PTGER4
SCHEMBL3884996 0.87 ENPP2 (0.38) PTGS2ENPP2ABCB1NPC1F7
SCHEMBL3884991 0.87 ENPP2 (0.38) PTGS2ENPP2ABCB1NPC1F7
SCHEMBL3881970 0.85 ENPP2 (0.36) PTGS2ENPP2ABCB1VCP
SCHEMBL3895740 0.84 PTGS2 (0.43) PTGS2ENPP2METPTGER1PTGER4
SCHEMBL3884939 0.84 CHRNA7 (0.32)

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