SCHEMBL9834683

SCHEMBL9834683

COC(=O)C1=Cc2cc(CCOS(C)(=O)=O)sc2CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.40
CA12 O43570 9/20 0.31
CA9 Q16790 9/20 0.31
CA2 P00918 2/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9835986 0.84 TBXAS1 (0.46) TBXAS1CA12CA9CA2HSD17B10
SCHEMBL9836524 0.81 TBXAS1 (0.43) TBXAS1CA12CA9CA2
SCHEMBL9834823 0.77 TBXAS1 (0.40) TBXAS1CA12CA9CA2ALDH1A1
SCHEMBL10777645 0.75 TBXAS1 (0.39) TBXAS1CA12CA9CA2ALDH1A1
SCHEMBL9835519 0.73 TBXAS1 (0.77) TBXAS1ALDH1A1
SCHEMBL9834712 0.71 PNMT (0.42) TBXAS1CA12CA9CA2ALDH1A1
SCHEMBL10777505 0.70 TBXAS1 (0.40) TBXAS1ALDH1A1
SCHEMBL9835676 0.70 TBXAS1 (0.76) TBXAS1
SCHEMBL9836663 0.70 KDM4E (0.36) TBXAS1CA12CA9CA2ALDH1A1
SCHEMBL9834672 0.69 KDM4E (0.39) ALDH1A1HSD17B10

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
EP-0240107-B1 THIANAPHTHENE DERIVATIVES, THEIR PRODUCTION AND USE Sankyo Company Limited (JP) 1991-08-21 EP disclosed
US-5021444-A Anticoagulants SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
US-4847272-A ANTICOAGULANTS SANKYO COMPANY LIMITED (JP) 1989-07-11 US disclosed
EP-0240107-A1 Thianaphthene derivatives, their production and use Sankyo Company Limited (JP) 1987-10-07 EP disclosed