SCHEMBL3882946

SCHEMBL3882946

CC(Cc1cc(-c2ccc3ccccc3c2)c(OCCN(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.40
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
S1PR4 O95977 1/20 0.34
S1PR5 Q9H228 1/20 0.34
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
HDAC1 Q13547 1/20 0.33
PLA2G10 O15496 3/20 0.33
PLA2G2A P14555 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOB P27338 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
PLA2G1B P04054 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
SCHEMBL3882770 0.87 FFAR4 (0.40) KDM4EALDH1A1HDAC1MEN1KMT2A
SCHEMBL3896091 0.87 PPARG (0.42) PPARGKDM4EALDH1A1AKR1C3AKR1C2
SCHEMBL3883891 0.87 XDH (0.39) PPARGAKR1C3AKR1C2S1PR4S1PR5
SCHEMBL3889928 0.87 PPARG (0.37) PPARGAKR1C3AKR1C2S1PR4S1PR5
SCHEMBL3885151 0.86 PPARG (0.38) PPARGAKR1C3AKR1C2S1PR4S1PR5
SCHEMBL3885031 0.85 MYC (0.42) AKR1C3AKR1C2S1PR4S1PR5PLA2G10
SCHEMBL3882672 0.85 CCNC (0.42) PPARGKDM4EALDH1A1MEN1KMT2A
SCHEMBL3884001 0.84 PPARG (0.37) PPARGAKR1C3AKR1C2S1PR4S1PR5
SCHEMBL3882989 0.83 AKR1C3 (0.38) AKR1C3AKR1C2S1PR4S1PR5HDAC1
SCHEMBL3884288 0.82 AKR1C3 (0.41) PPARGALDH1A1AKR1C3AKR1C2PPARD

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