SCHEMBL9836741

SCHEMBL9836741

COC(=O)C=C1CCc2sc(Cn3ccnc3)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 15/20 0.53
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CYP19A1 P11511 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 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
SCHEMBL9835464 0.93 TBXAS1 (0.53) TBXAS1ALDH1A1GAACYP19A1NPC1
SCHEMBL9837280 0.84 TBXAS1 (0.36) TBXAS1ALDH1A1GAAPOLB
SCHEMBL9837100 0.80 TBXAS1 (0.60) TBXAS1ALDH1A1GAA
SCHEMBL9834134 0.79 POLB (0.34) ALDH1A1POLB
SCHEMBL9836336 0.75 TBXAS1 (0.78) TBXAS1ALDH1A1GAACYP19A1NPC1
SCHEMBL9834133 0.73 TBXAS1 (0.78) TBXAS1ALDH1A1GAACYP19A1NPC1
SCHEMBL9835676 0.72 TBXAS1 (0.76) TBXAS1CYP19A1
SCHEMBL9836779 0.69 TBXAS1 (0.76) TBXAS1CYP19A1NPC1POLB
SCHEMBL9834596 0.69 TBXAS1 (1.00) TBXAS1ALDH1A1GAA
SCHEMBL10772896 0.69 HTT (0.34) ALDH1A1POLB

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 3 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