SCHEMBL9837046

SCHEMBL9837046

COC(=O)C1CCc2sc(C(C3CCCCC3)n3ccnc3)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.43
CYP17A1 P05093 2/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP19A1 P11511 1/20 0.35
TBXA2R P21731 6/20 0.34
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
SCHEMBL9836161 0.89 TBXAS1 (0.54) TBXAS1CYP17A1CYP11B1CYP11B2NPC1
SCHEMBL9871950 0.78 NPC1 (0.42) TBXAS1NPC1RAB9AALDH1A1
SCHEMBL9835771 0.77 TBXAS1 (0.50) TBXAS1CYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL9836336 0.72 TBXAS1 (0.78) TBXAS1NPC1CYP19A1ALDH1A1GAA
SCHEMBL27690673 0.72 ALDH1A1 (0.41) TBXAS1CYP17A1CYP11B1CYP11B2NPC1
SCHEMBL10772058 0.69 TBXAS1 (0.39) TBXAS1
SCHEMBL19999186 0.65 CYP17A1 (0.67) CYP17A1CYP11B1CYP11B2CYP19A1TBXA2R
SCHEMBL9834133 0.64 TBXAS1 (0.78) TBXAS1NPC1CYP19A1ALDH1A1GAA
SCHEMBL9834711 0.64 TBXAS1 (0.39) TBXAS1
SCHEMBL18183599 0.64 IDO1 (0.36) CYP17A1CYP11B1CYP11B2CYP19A1TBXA2R

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