SCHEMBL8810263

SCHEMBL8810263

Cc1c(CC(=O)O)cccc1Oc1cc(OCc2ccoc2)ccc1C#N

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.43

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
SCHEMBL8808914 0.85 MRGPRX4 (0.45) MRGPRX4
SCHEMBL8807660 0.84
SCHEMBL8807145 0.83 NPC1 (0.44) MRGPRX4
SCHEMBL8810159 0.81 MEN1 (0.44) MRGPRX4
SCHEMBL8808400 0.81 FFAR1 (0.44) MRGPRX4
SCHEMBL8810273 0.75 MRGPRX4 (0.43) MRGPRX4
SCHEMBL8809995 0.75 MEN1 (0.43) MRGPRX4
SCHEMBL8809208 0.74 MAOB (0.51) MRGPRX4
SCHEMBL8807328 0.73 MAPK14 (0.48)
SCHEMBL8808247 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805802-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE-POULENC RORER LIMITED (GB) 1997-11-12 EP claimed
WO-1996022978-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE POULENC RORER LIMITED (GB) 1996-08-01 WO claimed