SCHEMBL9837207

SCHEMBL9837207

CSC(Cn1ccnc1)(OC=S)c1cc2c(s1)CC(C(=O)O)CC2

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.58
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL9834707 0.93 TBXAS1 (0.48) TBXAS1ALDH1A1GAA
SCHEMBL9837312 0.78 TBXAS1 (0.56) TBXAS1
SCHEMBL9837142 0.74 TBXAS1 (1.00) TBXAS1ALDH1A1GAA
Hydrochloric Acid SCHEMBL9836713 0.73 TBXAS1 (0.98) TBXAS1ALDH1A1GAA
SCHEMBL9835122 0.70 TBXAS1 (0.70) TBXAS1ALDH1A1GAA
SCHEMBL9837013 0.70 TBXAS1 (1.00) TBXAS1ALDH1A1GAA
Hydrochloric Acid SCHEMBL9837253 0.70 TBXAS1 (0.98) TBXAS1ALDH1A1GAA
SCHEMBL9837210 0.68 TBXAS1 (0.48) TBXAS1
SCHEMBL9834133 0.68 TBXAS1 (0.78) TBXAS1ALDH1A1GAA
SCHEMBL9834596 0.66 TBXAS1 (1.00) TBXAS1ALDH1A1GAA

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