SCHEMBL9837323

SCHEMBL9837323

O=C(CC1CCCCC1)N(Cc1ccccc1)OC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.41
EPHX2 P34913 2/20 0.41
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 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
SCHEMBL9835089 0.83 ALOX5 (0.47) ALDH1A1EPHX2L3MBTL1MEN1KMT2A
SCHEMBL9508809 0.76 MGLL (0.44) MEN1KMT2A
SCHEMBL14897950 0.76 ALDH1A1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL9836108 0.73 NPC1 (0.54) NPC1RAB9AALDH1A1EPHX2ATM
SCHEMBL14876048 0.73 S1PR3 (0.39) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL14875922 0.73 S1PR3 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL4287111 0.72 MAPK1 (0.59) NPC1RAB9AALDH1A1EPHX2ATM
SCHEMBL2436091 0.71 MEN1 (0.42) MEN1KMT2A
SCHEMBL13889647 0.70 NPC1 (0.60) NPC1RAB9AALDH1A1EPHX2L3MBTL1
SCHEMBL9837743 0.70 MEN1 (0.46) NPC1RAB9AEPHX2L3MBTL1MEN1

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