SCHEMBL3884288

SCHEMBL3884288

CC(Cc1cc(-c2ccc3ccccc3c2)c(OCCc2ccccc2F)c([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
PTPN1 P18031 4/20 0.37
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
PTPN2 P17706 2/20 0.35
CDC25B P30305 2/20 0.35
PTGES O14684 2/20 0.35
SRD5A2 P31213 1/20 0.35
RAPGEF3 O95398 1/20 0.35
FFAR1 O14842 1/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
PDCD1 Q15116 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
SCHEMBL3885151 0.87 PPARG (0.38) AKR1C3AKR1C2PTGER1PTGER4PTGER3
SCHEMBL3895497 0.87 FFAR4 (0.46) PTGER4PTGER3FFAR4PTGESRAPGEF3
SCHEMBL3884001 0.86 PPARG (0.37) AKR1C3AKR1C2FFAR1PPARGPPARD
SCHEMBL3894677 0.86 AKR1C3 (0.43) AKR1C3AKR1C2PTPN1PTGER1PTGER4
SCHEMBL3883891 0.86 XDH (0.39) AKR1C3AKR1C2PTGER1PTGER4PTGER3
SCHEMBL6392023 0.85 CCNC (0.45) AKR1C3AKR1C2PTPN1FFAR4PTPN2
SCHEMBL3889928 0.84 PPARG (0.37) AKR1C3AKR1C2PPARGPPARDPPARA
SCHEMBL3885031 0.84 MYC (0.42) AKR1C3AKR1C2PTGER1PTGER4PTGER3
SCHEMBL3882989 0.83 AKR1C3 (0.38) AKR1C3AKR1C2PTGER1PTGER4PTGER3
SCHEMBL3882946 0.82 PPARG (0.40) AKR1C3AKR1C2PTGER1PTGER4PTGER3

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