SCHEMBL9504769

SCHEMBL9504769

CCCCCCCCCCc1cccc(C(=O)N(O)CCCCC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.48
PPARA Q07869 4/20 0.48
KDM4A O75164 1/20 0.48
KDM5A P29375 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
PHF8 Q9UPP1 1/20 0.48
KDM2A Q9Y2K7 1/20 0.48
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
LTB4R Q15722 2/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR2 O95136 1/20 0.43
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43

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
SCHEMBL9506071 0.96 PPARG (0.49) PPARGPPARAKDM4AKDM5AKDM4C
SCHEMBL9504722 0.85 PPARA (0.52) PPARGPPARASPHK2SPHK1
SCHEMBL9506106 0.85 THRA (0.54) MAPTTHRATHRBS1PR1S1PR3
SCHEMBL9508763 0.83 EPHX2 (0.44) MAPTSPHK2SPHK1
SCHEMBL9016911 0.82 ALDH1A1 (0.55) PPARGPPARATHRATHRBSPHK2
SCHEMBL25173309 0.82 MAPT (0.66) PPARGPPARAMAPTRXFP1S1PR1
SCHEMBL711512 0.82 MAPT (0.66) PPARGPPARAMAPTRXFP1S1PR1
SCHEMBL9504727 0.81 THRA (0.56) MAPTTHRATHRBS1PR1S1PR3
Hexanoate SCHEMBL28378377 0.80 MAPT (0.64) PPARGPPARAMAPTRXFP1S1PR1
SCHEMBL9506855 0.79 PPARG (0.50) PPARGPPARATHRATHRBSPHK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
CN-1012500-B Process for preparing aryl hydroxamates SQUIBB & SONS INC (US) 1991-05-01 CN disclosed
CN-85104470-A The method for preparing arythydroxamtes 1986-10-01 CN disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed