SCHEMBL11842672

SCHEMBL11842672

[CH]c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.56
▸ PTGS2 P35354 9/20 0.46

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
SCHEMBL2376239 0.85 ENPP2 (0.72) ENPP2PTGS2
SCHEMBL10300269 0.77 PTGS2 (0.62) ENPP2PTGS2
SCHEMBL17548700 0.77 ENPP2 (0.62) ENPP2PTGS2
SCHEMBL7677302 0.77 PTGS2 (0.62) ENPP2PTGS2
SCHEMBL28182477 0.74 GAA (0.65) ENPP2PTGS2
SCHEMBL517832 0.74 ENPP2 (0.59) ENPP2PTGS2
SCHEMBL12807 0.74 GAA (0.65) ENPP2PTGS2
SCHEMBL17689398 0.74 ALDH1A1 (0.64) ENPP2PTGS2
SCHEMBL11459726 0.74 PSIP1 (0.58) PTGS2
SCHEMBL6096079 0.72 CA2 (0.64) ENPP2

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-3951998-A HYPOTENSIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-20 — — US disclosed
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