SCHEMBL9538830

SCHEMBL9538830

NC(=O)N(O)CCOCc1ccc(-c2ccccc2)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.65
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDE7A Q13946 1/20 0.41
SLC9A1 P19634 1/20 0.38
NQO2 P16083 1/20 0.37
MMP2 P08253 1/20 0.37
HPGD P15428 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
SCHEMBL9585668 0.88 ALOX5 (0.49) ALOX5ALDH1A1POLBMAPTPKM
SCHEMBL9541471 0.88 ALOX5 (0.49) ALOX5ALDH1A1MAPTPKMHTT
SCHEMBL9833394 0.82 ALOX5 (0.74) ALOX5ALDH1A1POLBMAPTPKM
SCHEMBL8806200 0.79 ALOX5 (1.00) ALOX5ALDH1A1POLBMAPTPKM
SCHEMBL9539738 0.79 ALOX5 (0.61) ALOX5ALDH1A1POLBMAPTPKM
SCHEMBL9583744 0.78 ALOX5 (0.46) ALOX5
SCHEMBL9584912 0.75 CYP2E1 (0.45) ALOX5POLBCYP2E1CYP3A4CYP2A6
SCHEMBL9542504 0.74 ALOX5 (0.60) ALOX5ALDH1A1POLBMAPTTDP1
SCHEMBL9834288 0.73 ALOX5 (0.59) ALOX5ALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL9832912 0.71 ALOX5 (0.43) ALOX5MAPTTDP1CYP2C19MMP2

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 2 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
US-5183818-A Also for inhibiting leukotriene biosynthesis ABBOTT LABORATORIES (US) 1993-02-02 US disclosed