SCHEMBL8548517

SCHEMBL8548517

CNS(=O)(=O)c1cc(C)ccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
ACLY P53396 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
METAP2 P50579 2/20 0.48
CSNK2A1 P68400 1/20 0.46
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MCL1 Q07820 3/20 0.43
MAPT P10636 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
LMNA P02545 1/20 0.42
FABP4 P15090 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL8552433 0.86 METAP2 (0.51) ALDH1A1ACLYHPGDHSD17B10METAP2
SCHEMBL8492726 0.80 CSNK2A1 (0.50) ALDH1A1ACLYHPGDHSD17B10METAP2
SCHEMBL5706560 0.80 CSNK2A1 (0.50) ALDH1A1ACLYHPGDHSD17B10METAP2
SCHEMBL27909908 0.79 CSNK2A1 (0.48) ALDH1A1ACLYHPGDHSD17B10METAP2
SCHEMBL1725851 0.79 CSNK2A1 (0.53) ALDH1A1ACLYHPGDHSD17B10METAP2
SCHEMBL32664450 0.77 GAA (0.48) ALDH1A1CSNK2A1GAASMN1; SMN2LMNA
SCHEMBL10868958 0.77 GAA (0.48) ALDH1A1CSNK2A1GAASMN1; SMN2LMNA
SCHEMBL4433906 0.77 CA1 (0.70) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPT
SCHEMBL17319217 0.76 LMNA (0.69) ALDH1A1HPGDGAASMN1; SMN2LMNA
SCHEMBL7763277 0.75 CYP1A2 (0.40) ALDH1A1ACLYHPGDHSD17B10METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752990-B1 BENZISOTHIAZOLES DERIVATIVES AS INHIBITORS OF 5-LIPOXYGENASE BIOSYNTHESIS PFIZER (US) 1998-08-05 EP disclosed
US-5665749-A Benzisothiazoles derivatives as inhibitors of 5-lipoxygenase biosynthesis PFIZER INC. (US) 1997-09-09 US disclosed
EP-0752990-A1 BENZISOTHIAZOLES DERIVATIVES AS INHIBITORS OF 5-LIPOXYGENASE BIOSYNTHESIS PFIZER INC. (US) 1997-01-15 EP disclosed
WO-1995026346-A1 BENZISOTHIAZOLES DERIVATIVES AS INHIBITORS OF 5-LIPOXYGENASE BIOSYNTHESIS PFIZER INC. (US) 1995-10-05 WO disclosed