SCHEMBL9835558

SCHEMBL9835558

O=C(O)C1=Cc2cc(C(C3CCCCC3)n3ccnc3)sc2CC1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.63
CYP17A1 P05093 2/20 0.43
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
CYP19A1 P11511 1/20 0.35
TBXA2R P21731 6/20 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
SCHEMBL9835771 0.89 TBXAS1 (0.50) TBXAS1CYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL9836789 0.78 TBXAS1 (0.67) TBXAS1CYP17A1
SCHEMBL9836166 0.78 TBXAS1 (1.00) TBXAS1CYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL9834753 0.77 TBXAS1 (0.45) TBXAS1
SCHEMBL9836161 0.76 TBXAS1 (0.54) TBXAS1CYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL27264305 0.75 TBXAS1 (0.71) TBXAS1CYP17A1CYP19A1TBXA2R
SCHEMBL9837046 0.72 TBXAS1 (0.43) TBXAS1CYP17A1CYP11B1CYP11B2CYP19A1
Water SCHEMBL9836190 0.69 TBXAS1 (0.82) TBXAS1CYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL9836635 0.68 TBXAS1 (0.53) TBXAS1CYP17A1
SCHEMBL9834671 0.68 TBXAS1 (0.80) TBXAS1CYP17A1CYP11B1CYP11B2CYP19A1

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 1 patent. 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