SCHEMBL8068951

SCHEMBL8068951

CN(C)CCSCc1ccc(Oc2ccc(C(=O)O)cc2C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 10/20 0.46
LPAR5 Q9H1C0 10/20 0.46
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.40
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SCN9A Q15858 1/20 0.39
SRD5A2 P31213 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
SCHEMBL8068670 0.90 NOTUM (0.43) LPAR1LPAR5THRATHRBMRGPRX4
Hydrochloric Acid SCHEMBL8059590 0.86 SLC9A1 (0.41) LPAR1LPAR5THRATHRBSLC6A2
SCHEMBL8059726 0.85 THRA (0.47) LPAR1LPAR5THRATHRBRXRA
Hydrochloric Acid SCHEMBL8059587 0.85 SIRT1 (0.42) LPAR1LPAR5THRATHRBSLC6A2
SCHEMBL8444218 0.81 PKM (0.44) LPAR1LPAR5THRATHRBSLC6A4
Hydrochloric Acid SCHEMBL8073687 0.80 PKM (0.43) LPAR1LPAR5THRATHRB
SCHEMBL8068627 0.75 LPAR1 (0.48) LPAR1LPAR5THRATHRBMRGPRX4
SCHEMBL8068454 0.75 THRA (0.44) THRATHRBMRGPRX4SLC6A2SLC6A4
SCHEMBL8059639 0.74 TTR (0.62) LPAR1LPAR5RXRARXRBRXRG
SCHEMBL8074970 0.73 SLC6A2 (0.45) LPAR1LPAR5THRATHRBSLC6A2

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