SCHEMBL8075422

SCHEMBL8075422

CN(C)CCc1ccc(Oc2ccc(C(=O)O)cc2S(C)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.48
POLB P06746 1/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
LPAR1 Q92633 9/20 0.44
LPAR5 Q9H1C0 9/20 0.44
TTR P02766 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LTA4H P09960 1/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39

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
Hydrochloric Acid SCHEMBL8070153 0.99 PKM (0.47) PKMPOLBTHRATHRBLPAR1
SCHEMBL8070527 0.90 PKM (0.54) PKMPOLBLPAR1LPAR5TTR
SCHEMBL8068481 0.89 THRA (0.43) PKMPOLBTHRATHRBLPAR1
SCHEMBL8444218 0.86 PKM (0.44) PKMPOLBTHRATHRBLPAR1
SCHEMBL8059406 0.85 SLC9A1 (0.47)
Hydrochloric Acid SCHEMBL8073687 0.85 PKM (0.43) PKMPOLBTHRATHRBLPAR1
SCHEMBL8073825 0.84 PKM (0.47) PKMPOLBTHRATHRBTTR
SCHEMBL8068578 0.84 LPAR1 (0.43) THRATHRBLPAR1LPAR5
SCHEMBL8073502 0.84 TTR (0.51) PKMPOLBTTR
SCHEMBL8059397 0.83 THRA (0.42) PKMPOLBTHRATHRB

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