SCHEMBL7790468

SCHEMBL7790468

NC1CCCc2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA12 O43570 3/20 0.51
CA7 P43166 3/20 0.51
CA14 Q9ULX7 3/20 0.51
ACHE P22303 5/20 0.49
HTR6 P50406 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
STAT3 P40763 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL7787639 0.88 CA12 (0.51) CA1CA2CA12CA7CA14
SCHEMBL17729388 0.84 HTR6 (0.49) CA1CA2CA12CA7CA14
SCHEMBL7916013 0.76 CA1 (0.47) CA1CA2CA12CA7CA14
SCHEMBL2803692 0.75 ACHE (0.51) ACHE
SCHEMBL15031195 0.75 CA1 (0.38) CA1CA2CA12CA7CA14
SCHEMBL30099795 0.74 ACHE (0.50) ACHE
SCHEMBL27827582 0.74 KDM1A (0.50) ACHEHTR6
SCHEMBL27755921 0.74 CA1 (0.46) CA1CA2CA12CA7CA14
Hydrochloric Acid SCHEMBL2807478 0.73 ACHE (0.50) ACHE
SCHEMBL14336037 0.73 CA1 (0.57) CA1CA2CA12CA7CA14

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