SCHEMBL9835706

SCHEMBL9835706

O=C(O)OC1CCc2cc(Cn3ccnc3)sc2C1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.72
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
AGTR2 P50052 1/20 0.35

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
SCHEMBL9835990 0.92 TBXAS1 (0.72) TBXAS1ALDH1A1GAACYP11B1CYP11B2
SCHEMBL9837494 0.90 TBXAS1 (0.73) TBXAS1ALDH1A1GAA
SCHEMBL9837142 0.84 TBXAS1 (1.00) TBXAS1ALDH1A1GAACYP11B1CYP11B2
Hydrochloric Acid SCHEMBL9836713 0.83 TBXAS1 (0.98) TBXAS1ALDH1A1GAACYP11B1CYP11B2
SCHEMBL9834133 0.81 TBXAS1 (0.78) TBXAS1ALDH1A1GAAAGTR2
SCHEMBL9837500 0.80 TBXAS1 (0.80) TBXAS1ALDH1A1GAACYP11B1CYP11B2
SCHEMBL9835717 0.77 TBXAS1 (0.44) TBXAS1CYP11B1CYP11B2
SCHEMBL9834596 0.77 TBXAS1 (1.00) TBXAS1ALDH1A1GAACYP11B1CYP11B2
Hydrochloric Acid SCHEMBL9836537 0.76 TBXAS1 (0.98) TBXAS1ALDH1A1GAACYP11B1CYP11B2
SCHEMBL9836336 0.74 TBXAS1 (0.78) TBXAS1ALDH1A1GAAAGTR2

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 claimed