SCHEMBL9539663

SCHEMBL9539663

CC(CN(O)C(N)=O)OCc1cccs1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.57
SLC1A2 P43004 1/20 0.57
SLC1A1 P43005 1/20 0.57
ALOX5 P09917 4/20 0.43
RAB9A P51151 3/20 0.41
POLB P06746 1/20 0.40
TRPM8 Q7Z2W7 3/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 2/20 0.39
CYP3A4 P08684 1/20 0.38
CTSC P53634 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 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
SCHEMBL9584897 0.76 ALOX5 (0.56) SLC1A3SLC1A2SLC1A1ALOX5RAB9A
SCHEMBL9539698 0.76 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1ALOX5CYP2C19
SCHEMBL9542445 0.73 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1ALOX5RAB9A
SCHEMBL9538808 0.73 ALOX5 (0.56) SLC1A3SLC1A2SLC1A1ALOX5TRPM8
SCHEMBL9539758 0.73 ALOX5 (0.58) ALOX5
SCHEMBL9377352 0.73 ALOX5 (0.60) SLC1A3SLC1A2SLC1A1ALOX5POLB
SCHEMBL9374310 0.73 ALOX5 (0.60) SLC1A3SLC1A2SLC1A1ALOX5RAB9A
SCHEMBL8055386 0.71 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1RAB9ACYP2C19
SCHEMBL12394783 0.70 SMN1; SMN2 (0.54) SLC1A3SLC1A2SLC1A1RAB9ACYP2C19
SCHEMBL9373356 0.70 ALOX5 (0.50) SLC1A3SLC1A2SLC1A1ALOX5RAB9A

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
WO-1993003719-A1 ARYLALKYLETHER AND ARYLALKYLTHIOETHER INHIBITORS OF LIPOXYGENASE ENZYME ACTIVITY ABBOTT LABORATORIES (US) 1993-03-04 WO claimed
WO-1993003719-A1 ARYLALKYLETHER AND ARYLALKYLTHIOETHER INHIBITORS OF LIPOXYGENASE ENZYME ACTIVITY ABBOTT LABORATORIES (US) 1993-03-04 WO disclosed
US-5183818-A Also for inhibiting leukotriene biosynthesis ABBOTT LABORATORIES (US) 1993-02-02 US disclosed