SCHEMBL7916013

SCHEMBL7916013

O=S(=O)(O)c1ccc2c(c1)C(O)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA12 O43570 4/20 0.47
CA7 P43166 4/20 0.47
CA14 Q9ULX7 4/20 0.47
CHRM4 P08173 3/20 0.40
HTR7 P34969 3/20 0.40
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 4/20 0.37
DRD2 P14416 1/20 0.36
HTR6 P50406 1/20 0.36
LMNA P02545 1/20 0.35
ING2 Q9H160 1/20 0.35
CYP3A4 P08684 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
CA9 Q16790 2/20 0.35
TSHR P16473 2/20 0.34
NT5E P21589 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7909262 0.86 CA1 (0.47) CA1CA2CA12CA7CA14
SCHEMBL1003328 0.85 CYP3A4 (0.46) CA1CA2CA12CA7CA14
SCHEMBL27755921 0.78 CA1 (0.46) CA1CA2CA12CA7CA14
SCHEMBL7790505 0.77 CA12 (0.45) CA1CA2CA12CA7CA14
SCHEMBL29649410 0.76 HTR6 (0.46) CA1CA2CA12CA7CA14
SCHEMBL7790468 0.76 CA1 (0.51) CA1CA2CA12CA7CA14
SCHEMBL7144392 0.76 CA2 (0.56) CA1CA2CA12CA7CA14
SCHEMBL7792241 0.75 CA1 (0.58) CA1CA2CA12CA7CA14
SCHEMBL7790516 0.75 CA1 (0.58) CA1CA2CA12CA7CA14
SCHEMBL8348394 0.72 ESR1 (0.54) DRD2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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