SCHEMBL3885151

SCHEMBL3885151

CC(Cc1cc(-c2ccc3ccccc3c2)c(OCCCc2ccccc2)c([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
CYP19A1 P11511 2/20 0.36
PLA2G10 O15496 3/20 0.36
PLA2G2A P14555 3/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
PLA2G1B P04054 1/20 0.36
PLA2G5 P39877 1/20 0.36
PLA2G2C Q5R387 1/20 0.36
PLA2G12B Q9BX93 1/20 0.36
PLA2G12A Q9BZM1 1/20 0.36
PLA2G2F Q9BZM2 1/20 0.36

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
SCHEMBL3884001 0.90 PPARG (0.37) PPARGAKR1C3AKR1C2CYP11B1CYP11B2
SCHEMBL3883891 0.90 XDH (0.39) PPARGAKR1C3AKR1C2PLA2G10PLA2G2A
SCHEMBL3889928 0.88 PPARG (0.37) PPARGAKR1C3AKR1C2CYP11B1CYP11B2
SCHEMBL3885031 0.88 MYC (0.42) AKR1C3AKR1C2PLA2G10PLA2G2APTGER1
SCHEMBL3884288 0.87 AKR1C3 (0.41) PPARGAKR1C3AKR1C2PTGER1PTGER4
SCHEMBL3882989 0.86 AKR1C3 (0.38) AKR1C3AKR1C2PLA2G10PLA2G2APTGER1
SCHEMBL3882946 0.86 PPARG (0.40) PPARGAKR1C3AKR1C2PLA2G10PLA2G2A
SCHEMBL3885728 0.86 FFAR1 (0.48) CYP11B1CYP11B2CYP19A1HDAC1
SCHEMBL3883495 0.85 PLA2G10 (0.40) PPARGAKR1C3AKR1C2CYSLTR2CYSLTR1
SCHEMBL3891606 0.85 PTGER1 (0.39) AKR1C3AKR1C2PLA2G10PLA2G2APTGER1

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