SCHEMBL9538848

SCHEMBL9538848

NC(=O)N(O)CCOCc1cc2sccc2s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
POLB P06746 1/20 0.38
GPR35 Q9HC97 1/20 0.38
ALOX5 P09917 6/20 0.37
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP2 P08253 1/20 0.35

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
SCHEMBL9539704 0.82 ALOX5 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6028094 0.82 GAA (0.45) GAAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL9542499 0.79 AGXT (0.52) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL5039818 0.79 ALOX5 (0.50) GAAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL9542445 0.78 SLC1A3 (0.50) GAAALDH1A1POLBALOX5L3MBTL1
SCHEMBL26057925 0.75 GPR35 (0.47) GAAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL9539825 0.74 ALOX5 (0.39) ALOX5MMP2
SCHEMBL9584912 0.71 CYP2E1 (0.45) HDAC3HDAC1HDAC2HDAC8POLB
SCHEMBL9584641 0.70 MMP2 (0.37) ALOX5MMP2
SCHEMBL9542504 0.70 ALOX5 (0.60) GAAALDH1A1POLBALOX5MMP2

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