SCHEMBL7787639

SCHEMBL7787639

NC1CCCc2cc(S(=O)(=O)O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA7 P43166 3/20 0.51
CA14 Q9ULX7 3/20 0.51
HTR6 P50406 16/20 0.46
CA9 Q16790 2/20 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
SCHEMBL7790468 0.88 CA1 (0.51) CA12CA1CA2CA7CA14
SCHEMBL14336037 0.86 CA1 (0.57) CA12CA1CA2CA7CA14
SCHEMBL7790505 0.83 CA12 (0.45) CA12CA1CA2CA7CA14
SCHEMBL11153179 0.81 CA12 (0.44) CA12CA1CA2CA7CA14
SCHEMBL9005773 0.81 ALDH1A1 (0.44) HTR6
SCHEMBL3903160 0.81 HTR6 (0.70) HTR6
SCHEMBL4034370 0.81 HTR6 (0.70) HTR6
SCHEMBL8253450 0.76 CA1 (0.57) CA12CA1CA2CA7CA14
SCHEMBL8253472 0.76 CA1 (0.57) CA12CA1CA2CA7CA14
SCHEMBL7909262 0.76 CA1 (0.47) CA12CA1CA2CA7CA14

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-0672405-B1 Hair treatment composition KAO CORP (JP) 2001-11-14 EP disclosed
US-6217855-B1 ELASTICITY KAO CORPORATION (JP) 2001-04-17 US disclosed
EP-0529437-B1 Hair treatment composition KAO CORP (JP) 1996-07-17 EP disclosed
EP-0672405-A1 Hair treatment composition KAO CORPORATION (JP) 1995-09-20 EP disclosed
EP-0529437-A1 Hair treatment composition Kao Corporation (JP) 1993-03-03 EP disclosed