SCHEMBL10340977

SCHEMBL10340977

CC(O)CCCCc1ccc(S(N)(=O)=O)s1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.41
LOX P28300 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
PRNP P04156 1/20 0.35
RECQL P46063 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CA1 P00915 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 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
SCHEMBL10340917 0.95 CA2 (0.42) CA2LOXCA1CA4CA7
SCHEMBL10341122 0.80 CA2 (0.61) CA2LOX
SCHEMBL8632622 0.80 CA2 (0.49) CA2LOX
SCHEMBL10340958 0.78 CA2 (0.59) CA2LOXALDH1A1LMNAPRNP
SCHEMBL10340984 0.78 CA2 (0.60) CA2LOXCA1CA4CA7
SCHEMBL10341129 0.78 ALDH1A1 (0.49) CA2LOXALDH1A1LMNAPRNP
SCHEMBL10721204 0.76 CA2 (0.46) CA2LOXALDH1A1LMNAPRNP
SCHEMBL23391726 0.76 CA2 (0.47) CA2LOXCA1CA4CA7
SCHEMBL10340954 0.74 CA2 (0.65) CA2ALDH1A1LMNAPRNPRECQL
Hydrochloric Acid SCHEMBL10341115 0.74 CA2 (0.46) CA2LOXCA1CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221806-B1 SUBSTITUTED THIOPHENE-2-SULFANOMIDE AND ANTIGLAUCOMA COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1990-01-10 EP claimed
EP-0221806-A1 Substituted thiophene-2-sulfanomide and antiglaucoma compositions containing them MERCK & CO. INC. (US) 1987-05-13 EP claimed
EP-0221806-B1 SUBSTITUTED THIOPHENE-2-SULFANOMIDE AND ANTIGLAUCOMA COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1990-01-10 EP disclosed
EP-0221806-A1 Substituted thiophene-2-sulfanomide and antiglaucoma compositions containing them MERCK & CO. INC. (US) 1987-05-13 EP disclosed
US-4665090-A TOPICAL ADMINISTRATION MERCK & CO., INC. (US) 1987-05-12 US disclosed