SCHEMBL8068490

SCHEMBL8068490

CS(=O)(=O)c1cc(C(=O)O)ccc1Oc1ccc(C(=O)CCl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.44
PKM P14618 2/20 0.44
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
GSK3B P49841 1/20 0.38
HIF1A Q16665 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL8073502 0.88 TTR (0.51) TTRPKMMAPTPOLBNPSR1
SCHEMBL7995261 0.84 TTR (0.61) TTRPKMPOLBNPSR1ALDH1A1
SCHEMBL8059681 0.83 TTR (0.45) TTRPKMMAPTPOLBNPSR1
SCHEMBL8070954 0.83 PKM (0.50) TTRPKMMAPTNPSR1ALDH1A1
SCHEMBL8059364 0.81 PKM (0.55) TTRPKMPOLBALDH1A1CA12
SCHEMBL8815218 0.79 NR4A2 (0.58) PKMPOLBKMT2ASMN1; SMN2
SCHEMBL8375481 0.79 HPGD (0.45) TTRPKMPOLBNPSR1ALDH1A1
SCHEMBL8375480 0.79 HPGD (0.45) TTRPKMPOLBNPSR1ALDH1A1
SCHEMBL8070909 0.79 SRD5A2 (0.56) TTRPOLBKMT2AALDH1A1
SCHEMBL8075422 0.78 PKM (0.48) TTRPKMPOLBTHRATHRB

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