SCHEMBL9834707

SCHEMBL9834707

COC(=O)C1CCc2cc(C(Cn3ccnc3)(OC=S)SC)sc2C1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.48
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL9837207 0.93 TBXAS1 (0.58) TBXAS1ALDH1A1GAA
SCHEMBL9869737 0.78 TBXAS1 (0.46) TBXAS1
SCHEMBL9834133 0.77 TBXAS1 (0.78) TBXAS1ALDH1A1GAA
SCHEMBL9837312 0.76 TBXAS1 (0.56) TBXAS1
SCHEMBL9835790 0.73 TBXAS1 (0.79) TBXAS1ALDH1A1GAA
SCHEMBL9871295 0.73 TBXAS1 (0.55) TBXAS1ALDH1A1GAA
SCHEMBL9834711 0.69 TBXAS1 (0.39) TBXAS1
SCHEMBL10772058 0.69 TBXAS1 (0.39) TBXAS1
SCHEMBL9836336 0.69 TBXAS1 (0.78) TBXAS1ALDH1A1GAA
SCHEMBL9837142 0.66 TBXAS1 (1.00) TBXAS1ALDH1A1GAA

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