SCHEMBL3880962

SCHEMBL3880962

CC(Cc1cc(-c2ccc3ccccc3c2)c(OC2CCCC2)c([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.37
APP P05067 1/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
S1PR4 O95977 1/20 0.35
S1PR5 Q9H228 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PDE5A O76074 1/20 0.35
TACR1 P25103 4/20 0.34
MAPT P10636 1/20 0.34
PLA2G10 O15496 3/20 0.34
PLA2G2A P14555 3/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
PLA2G1B P04054 1/20 0.34
PLA2G5 P39877 1/20 0.34
PLA2G2C Q5R387 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
SCHEMBL3883991 0.99 APP (0.38) FFAR4APPAKR1C3AKR1C2S1PR4
SCHEMBL3892987 0.93 AKR1C3 (0.36) AKR1C3AKR1C2S1PR4S1PR5PLA2G10
SCHEMBL3882740 0.90 AKR1C3 (0.36) AKR1C3AKR1C2S1PR4S1PR5MAPT
SCHEMBL3882428 0.88 AKR1C3 (0.35) AKR1C3AKR1C2S1PR4S1PR5TACR1
SCHEMBL3883685 0.88 AKR1C3 (0.36) APPAKR1C3AKR1C2S1PR4S1PR5
SCHEMBL3882109 0.87 PTGS2 (0.41) APPPTGS2
SCHEMBL3884624 0.86 PTGS2 (0.40) APPPTGS2
SCHEMBL3882420 0.85 APP (0.35) FFAR4APP
SCHEMBL3883960 0.85 FFAR4 (0.39) FFAR4APPAKR1C3AKR1C2S1PR4
SCHEMBL3896066 0.85 FFAR4 (0.48) FFAR4

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