SCHEMBL9835801

SCHEMBL9835801

[CH]=CCCCCCCCC(=O)N(CC)OCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
FAAH O00519 4/20 0.34
EPHX2 P34913 3/20 0.34
HSD17B10 Q99714 3/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TERT O14746 3/20 0.33
PTPN1 P18031 3/20 0.33
PPARG P37231 3/20 0.33
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 0.33
CYP1A2 P05177 2/20 0.33
MAPT P10636 2/20 0.33
CYP2C19 P33261 2/20 0.33
BLM P54132 2/20 0.33
FABP4 P15090 2/20 0.33
F7 P08709 2/20 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
SCHEMBL9836621 0.87 LMNA (0.35) LMNAFAAHEPHX2HSD17B10CYP3A4
SCHEMBL9835164 0.86 FAAH (0.39) LMNAFAAHEPHX2HSD17B10CYP3A4
SCHEMBL9836722 0.80 CES2 (0.46) HSD17B10ALOX15TDP1ALDH1A1TSHR
SCHEMBL9835526 0.79 BCHE (0.44) LMNAFAAHEPHX2HSD17B10ALOX15
SCHEMBL18992933 0.78 ALDH1A1 (0.45) LMNAHSD17B10ALOX15TDP1ALDH1A1
SCHEMBL9836441 0.77 EPHX2 (0.40) LMNAFAAHEPHX2HSD17B10CYP3A4
SCHEMBL26133370 0.76 ALDH1A1 (0.52) LMNAHSD17B10ALOX15TDP1ALDH1A1
SCHEMBL9836289 0.76 EPHX2 (0.41) LMNAFAAHEPHX2HSD17B10CYP3A4
SCHEMBL6168566 0.72 ALDH1A1 (0.60) LMNAFAAHHSD17B10CYP3A4ALOX15
SCHEMBL11427651 0.72 LMNA (0.39) LMNAALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0200377-B1 HYDROXAMATES SQUIBB & SONS INC (US) 1991-10-09 EP disclosed
EP-0200377-A2 Hydroxamates E.R. Squibb & Sons, Inc. (US) 1986-11-05 EP disclosed
US-4604407-A Hydroxamates E. R. SQUIBB & SONS, INC. (US) 1986-08-05 US disclosed