SCHEMBL9307728

SCHEMBL9307728

NC(=O)N(O)CC1CCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 1.00
SLC1A3 P43003 3/20 0.41
SLC1A2 P43004 3/20 0.41
SLC1A1 P43005 3/20 0.41
EPHX1 P07099 3/20 0.38
KDM5A P29375 2/20 0.37
PHF8 Q9UPP1 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM4A O75164 1/20 0.37
CYP2D6 P10635 1/20 0.36
METAP1 P53582 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
SCHEMBL9308624 1.00 ALOX5 (1.00) ALOX5SLC1A3SLC1A2SLC1A1EPHX1
SCHEMBL9308307 0.98 ALOX5 (1.00) ALOX5SLC1A3SLC1A2SLC1A1EPHX1
SCHEMBL9308267 0.93 ALOX5 (1.00) ALOX5SLC1A3SLC1A2SLC1A1EPHX1
SCHEMBL7760755 0.80 ALOX5 (0.67) ALOX5EPHX1CYP2D6
SCHEMBL3567122 0.77 ALOX5 (0.62) ALOX5EPHX1CYP2D6
SCHEMBL9306400 0.71 ALOX5 (0.55) ALOX5EPHX1KDM5APHF8KDM2A
SCHEMBL21939800 0.71 ALOX5 (0.55) ALOX5EPHX1KDM5APHF8KDM2A
SCHEMBL31553556 0.71 ALOX5 (0.54) ALOX5EPHX1
SCHEMBL3124936 0.70 ALOX5 (0.53) ALOX5EPHX1KDM5APHF8KDM2A
SCHEMBL19448791 0.70 ALOX5 (0.53) ALOX5KDM5APHF8KDM2AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5326787-A Cycloalkyl N-hydroxy derivatives having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1994-07-05 US disclosed