SCHEMBL9508763

SCHEMBL9508763

CCCCCCCCCCCCCCc1cccc(C(=O)N(O)CCCC(=O)NCC)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.44
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
FAAH O00519 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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 0.86 PPARG (0.49) SPHK2SPHK1MAPT
SCHEMBL9504769 0.83 PPARG (0.48) SPHK2SPHK1MAPT
SCHEMBL9504722 0.77 PPARA (0.52) SPHK2SPHK1
SCHEMBL9508797 0.77 PPARG (0.50) SPHK2SPHK1
SCHEMBL9506855 0.77 PPARG (0.50) SPHK2SPHK1
SCHEMBL9507514 0.77 PPARG (0.50) SPHK2SPHK1
SCHEMBL9016911 0.77 ALDH1A1 (0.55) SPHK2SPHK1
SCHEMBL9507490 0.77 PPARG (0.50) SPHK2SPHK1
SCHEMBL20810289 0.77 SPHK2 (0.59) SPHK2SPHK1TRPV1
SCHEMBL9508836 0.77 PPARG (0.50) SPHK2SPHK1

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