SCHEMBL9837494

SCHEMBL9837494

O=C(O)OC1CCc2cc(CCn3ccnc3)sc2C1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.73
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL9835706 0.90 TBXAS1 (0.72) TBXAS1ALDH1A1GAA
SCHEMBL9837013 0.84 TBXAS1 (1.00) TBXAS1ALDH1A1GAAEGLN3
Hydrochloric Acid SCHEMBL9837253 0.83 TBXAS1 (0.98) TBXAS1ALDH1A1GAAEGLN3
SCHEMBL9835790 0.82 TBXAS1 (0.79) TBXAS1ALDH1A1GAAKDM4E
SCHEMBL9835990 0.81 TBXAS1 (0.72) TBXAS1ALDH1A1GAA
SCHEMBL9837142 0.73 TBXAS1 (1.00) TBXAS1ALDH1A1GAA
Hydrochloric Acid SCHEMBL9836713 0.72 TBXAS1 (0.98) TBXAS1ALDH1A1GAA
SCHEMBL9836796 0.72 TBXAS1 (0.43) TBXAS1ALDH1A1
SCHEMBL9835717 0.71 TBXAS1 (0.44) TBXAS1
SCHEMBL9836019 0.71 TBXAS1 (0.72) TBXAS1ALDH1A1GAAEGLN3

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