SCHEMBL8059482

SCHEMBL8059482

CN(C)CCSc1ccc(Oc2ccc(C(=O)O)cc2S(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.47
THRB P10828 3/20 0.47
PKM P14618 2/20 0.46
POLB P06746 1/20 0.46
TTR P02766 2/20 0.38
MAPT P10636 1/20 0.38
SLC6A4 P31645 3/20 0.38
RAB9A P51151 1/20 0.37
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL8071065 0.89 THRA (0.44) THRATHRBPKMPOLBMAPT
SCHEMBL8444218 0.85 PKM (0.44) THRATHRBPKMPOLBTTR
Hydrochloric Acid SCHEMBL8070618 0.85 SLC9A1 (0.44)
Hydrochloric Acid SCHEMBL8073687 0.84 PKM (0.43) THRATHRBPKMPOLBTTR
Hydrochloric Acid SCHEMBL8070615 0.83 THRA (0.41) THRATHRBPKMPOLBMAPT
SCHEMBL8075422 0.83 PKM (0.48) THRATHRBPKMPOLBTTR
Hydrochloric Acid SCHEMBL8070153 0.82 PKM (0.47) THRATHRBPKMPOLBTTR
SCHEMBL8073825 0.81 PKM (0.47) THRATHRBPKMPOLBTTR
SCHEMBL8073502 0.81 TTR (0.51) PKMPOLBTTRMAPT
SCHEMBL8059726 0.80 THRA (0.47) THRATHRBTTRSLC6A4RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057322-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed
EP-0723956-B1 Basically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics as well as medicaments containing them HOECHST AG (DE) 1999-10-13 EP disclosed
EP-0723956-A1 Basically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics as well as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-31 EP disclosed