SCHEMBL7743395

SCHEMBL7743395

C/C(C(N)=O)=C(/C)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
F2 P00734 3/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
CA12 O43570 1/20 0.45
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
LMNA P02545 3/20 0.44

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
SCHEMBL18464528 0.78 GAA (0.52) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL179723 0.78 ALDH1A1 (0.57) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL11107252 0.76 GAA (0.54) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL3887930 0.76 ALDH1A1 (0.50) ALDH1A1F2PRSS1PRSS2PRSS3
Acetamide SCHEMBL538407 0.74 GAA (0.73) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL9805301 0.74 CA1 (0.54) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL27914208 0.73 GAA (0.56) ALDH1A1F2PRSS1PRSS2PRSS3
Acetamide SCHEMBL5102677 0.72 ALDH1A1 (0.55) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL29548124 0.72 ALDH1A1 (0.55) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL2576334 0.71 GAA (0.54) ALDH1A1F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423797-B1 OVERCOATING SEMICONDUCTOR HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2002-07-23 US disclosed