SCHEMBL9541471

SCHEMBL9541471

NC(=O)N(O)CCOCc1ccc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.49
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
GFER P55789 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
SLC9A1 P19634 1/20 0.40
USP2 O75604 1/20 0.39
MMP2 P08253 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
SLC6A9 P48067 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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) ALOX5ALDH1A1HPGDKDM4EMAPT
SCHEMBL9538830 0.88 ALOX5 (0.65) ALOX5ALDH1A1HTTHPGDMAPT
SCHEMBL9539738 0.77 ALOX5 (0.61) ALOX5ALDH1A1HPGDMAPTPKM
SCHEMBL9585017 0.77 IKBKB (0.46) ALOX5ALDH1A1KDM4EMAPTGFER
SCHEMBL9538854 0.73 IKBKB (0.42) ALOX5MMP2MEN1KMT2A
SCHEMBL15827525 0.71 ALDH1A1 (0.54) ALOX5ALDH1A1HTTHPGDKDM4E
SCHEMBL9833394 0.70 ALOX5 (0.74) ALOX5ALDH1A1HTTHPGDKDM4E
SCHEMBL9542504 0.70 ALOX5 (0.60) ALOX5ALDH1A1KDM4EMAPTMMP2
SCHEMBL9832912 0.69 ALOX5 (0.43) ALOX5MAPTMMP2SMN1; SMN2MEN1
SCHEMBL27990409 0.69 ALDH1A1 (0.75) ALOX5ALDH1A1HTTHPGDKDM4E

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