SCHEMBL8059720

SCHEMBL8059720

CN(C)CCc1ccc(Oc2c(Cl)cc(C(=O)O)cc2S(C)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
LPAR1 Q92633 5/20 0.40
LPAR5 Q9H1C0 5/20 0.40
LMNA P02545 1/20 0.38
KMT2A Q03164 2/20 0.37
BMP1 P13497 2/20 0.37
MEN1 O00255 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
LTA4H P09960 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL8070525 0.89 CYP1A2 (0.40) LMNABMP1HRH3POLBALDH1A1
SCHEMBL8074945 0.83 F10 (0.35) THRATHRBLMNABMP1HRH3
SCHEMBL9043010 0.81 KDM4E (0.47) THRATHRBLMNAALDH1A1
SCHEMBL8075422 0.81 PKM (0.48) THRATHRBLPAR1LPAR5KMT2A
Hydrochloric Acid SCHEMBL8070153 0.80 PKM (0.47) THRATHRBLPAR1LPAR5KMT2A
SCHEMBL27210019 0.74 LPAR1 (0.59) LPAR1LPAR5HRH3LTA4H
SCHEMBL8070527 0.73 PKM (0.54) LPAR1LPAR5KMT2AMEN1POLB
SCHEMBL8068481 0.72 THRA (0.43) THRATHRBLPAR1LPAR5KMT2A
SCHEMBL8068578 0.72 LPAR1 (0.43) THRATHRBLPAR1LPAR5BMP1
SCHEMBL8068838 0.72 ALDH1A1 (0.41) THRATHRBLPAR1LPAR5LMNA

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