SCHEMBL9836712

SCHEMBL9836712

CCCCCCCCCC(=O)N(Cc1ccccc1)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
EPHX2 P34913 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 2/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALOX5 P09917 3/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
CNR2 P34972 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4A O75164 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
CETP P11597 3/20 0.44

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
SCHEMBL9835526 0.85 BCHE (0.44) BCHEACHEEPHX2KMT2ANPC1
SCHEMBL28712083 0.81 LTB4R2 (0.63) BCHEACHEEPHX2MEN1KMT2A
SCHEMBL4924149 0.81 LTB4R2 (0.63) BCHEACHEEPHX2MEN1KMT2A
SCHEMBL29450616 0.81 LTB4R2 (0.63) BCHEACHEEPHX2MEN1KMT2A
SCHEMBL7761239 0.80 NPC1 (0.72) BCHEACHEEPHX2MEN1KMT2A
SCHEMBL14946877 0.80 NPC1 (0.72) BCHEACHEEPHX2MEN1KMT2A
SCHEMBL8017184 0.80 NPC1 (0.72) BCHEACHEEPHX2MEN1KMT2A
SCHEMBL4398063 0.80 LTB4R2 (0.64) BCHEACHEEPHX2NPC1LMNA
SCHEMBL2945289 0.79 TSHR (0.47) EPHX2MEN1KMT2ALMNATSHR
SCHEMBL28217434 0.79 LMNA (0.68) BCHEACHEEPHX2NPC1LMNA

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