SCHEMBL3889928

SCHEMBL3889928

CC(Cc1cc(-c2ccc3ccccc3c2)c(OCCc2ccc(N(C)C)cc2)c([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.37
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
PPARA Q07869 3/20 0.34
PPARD Q03181 2/20 0.34
PLA2G10 O15496 3/20 0.33
PLA2G2A P14555 3/20 0.33
MAOB P27338 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR5 Q9H228 1/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G5 P39877 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
PLA2G12B Q9BX93 1/20 0.33
PLA2G12A Q9BZM1 1/20 0.33
PLA2G2F Q9BZM2 1/20 0.33
PLA2G3 Q9NZ20 1/20 0.33
PLA2G2E Q9NZK7 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
SCHEMBL3884001 0.91 PPARG (0.37) PPARGCYP11B1CYP11B2AKR1C3AKR1C2
SCHEMBL3994447 0.88 PTGES (0.43) CYP11B1CYP11B2
SCHEMBL3885151 0.88 PPARG (0.38) PPARGCYP11B1CYP11B2AKR1C3AKR1C2
SCHEMBL3882946 0.87 PPARG (0.40) PPARGAKR1C3AKR1C2PPARAPPARD
SCHEMBL3881788 0.86 PPARG (0.39) PPARGAKR1C3AKR1C2PPARAPPARD
SCHEMBL3883891 0.85 XDH (0.39) PPARGAKR1C3AKR1C2PPARAPPARD
SCHEMBL3885031 0.85 MYC (0.42) AKR1C3AKR1C2PLA2G10PLA2G2AS1PR4
SCHEMBL3886622 0.85 CCNC (0.42) PPARGCYP11B1CYP11B2
SCHEMBL3884288 0.84 AKR1C3 (0.41) PPARGAKR1C3AKR1C2PPARAPPARD
SCHEMBL3882989 0.84 AKR1C3 (0.38) AKR1C3AKR1C2PLA2G10PLA2G2AS1PR4

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