SCHEMBL9836588

SCHEMBL9836588

O=C(CCCc1ccccc1)NOC1CCCCO1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.54
EPHX1 P07099 1/20 0.50
HDAC1 Q13547 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
MGLL Q99685 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1349427 0.89 CA12 (0.44) EPHX2EPHX1MGLLNPC1RAB9A
SCHEMBL25841424 0.85 MGLL (0.44) EPHX2MGLL
SCHEMBL5020595 0.83 HDAC1 (0.48) EPHX1HDAC1HDAC8MGLL
SCHEMBL13627289 0.83 CYP3A4 (0.53) EPHX2HDAC1HDAC3HDAC2HDAC8
SCHEMBL31051163 0.82 KMT2A (0.50) EPHX2MGLL
SCHEMBL31051162 0.82 MGLL (0.42) EPHX2EPHX1MGLL
SCHEMBL26186293 0.81 ALDH1A1 (0.43) EPHX2MGLLNPC1RAB9A
SCHEMBL26190346 0.80 SMN1; SMN2 (0.41) EPHX2EPHX1HDAC1HDAC3HDAC2
SCHEMBL26190451 0.79 TP53 (0.42) EPHX2EPHX1HDAC1HDAC3HDAC2
SCHEMBL28571572 0.79 TP53 (0.42) EPHX2EPHX1HDAC1HDAC3HDAC2

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