SCHEMBL9835526

SCHEMBL9835526

[CH]=CCCCCCCCC(=O)N(Cc1ccccc1)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
NPC1 O15118 3/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX5 P09917 3/20 0.42
KDM4A O75164 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
RAB9A P51151 2/20 0.40
FAAH O00519 3/20 0.39
EPHX2 P34913 3/20 0.39
ALDH1A1 P00352 3/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC3 O15379 1/20 0.36

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
SCHEMBL9836712 0.85 BCHE (0.49) BCHEACHENPC1MAPK1LMNA
SCHEMBL9835801 0.79 LMNA (0.34) LMNAHSD17B10ALOX15TSHRFAAH
SCHEMBL9836015 0.79 ALOX5 (0.45) BCHEACHENPC1ALOX5KDM4A
SCHEMBL7425833 0.71 ALOX5 (0.61) NPC1MAPK1LMNAHSD17B10ALOX15
SCHEMBL28239431 0.70 ALDH1A1 (0.46) NPC1MAPK1LMNAHSD17B10ALOX15
SCHEMBL9836621 0.70 LMNA (0.35) LMNAHSD17B10ALOX15TSHRFAAH
SCHEMBL7238328 0.69 EPHX2 (0.60) LMNAHSD17B10ALOX15FAAHEPHX2
SCHEMBL9506847 0.69 TNNC1 (0.42) BCHEACHEFAAHEPHX2CNR1
SCHEMBL9506854 0.69 TNNC1 (0.42) BCHEACHEFAAHEPHX2CNR1
SCHEMBL9136025 0.68 NPC1 (0.60) BCHEACHENPC1LMNAHSD17B10

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