SCHEMBL9834690

SCHEMBL9834690

O=C(CCCc1ccccc1)N(O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.65
HDAC1 Q13547 4/20 0.58
HDAC3 O15379 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC5 Q9UQL6 3/20 0.58
HDAC4 P56524 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
MAPK1 P28482 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ADRA1A P35348 1/20 0.58
SLC6A3 Q01959 1/20 0.58
KDM4A O75164 1/20 0.54
KDM5A P29375 1/20 0.54
KDM4C Q9H3R0 1/20 0.54
PHF8 Q9UPP1 1/20 0.54

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
SCHEMBL836541 0.89 ALOX5 (0.64) ALOX5HDAC1HDAC3HDAC2HDAC8
SCHEMBL3113549 0.84 ALOX5 (0.62) ALOX5HDAC1HDAC3HDAC2HDAC8
SCHEMBL7985994 0.82 ALDH1A1 (0.48) ALOX5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL19383170 0.80 ALOX5 (0.67) ALOX5HDAC1HDAC3HDAC2HDAC8
SCHEMBL836988 0.80 TP53 (0.51) ALOX5NPC1RAB9AALDH1A1
SCHEMBL17224008 0.79 CES2 (0.54) ALOX5HDAC8HDAC6SMN1; SMN2NPC1
SCHEMBL155509 0.79 ALOX5 (0.44) ALOX5HDAC1HDAC3HDAC2HDAC8
SCHEMBL9833833 0.79 ALOX5 (1.00) ALOX5HDAC1HDAC3HDAC2HDAC8
SCHEMBL9835077 0.79 ALOX5 (1.00) ALOX5HDAC1HDAC3HDAC2HDAC8
SCHEMBL4558654 0.78 MLYCD (0.58) ALOX5HDAC1HDAC3HDAC2HDAC8

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

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