SCHEMBL8808917

SCHEMBL8808917

CC(=O)Oc1ccc(Oc2cc(OCc3ccncc3)ccc2C#N)cc1C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
MAOB P27338 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP3A4 P08684 1/20 0.40
MAPK14 Q16539 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40

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
SCHEMBL8809211 0.90 MAOB (0.54) MRGPRX4MAOB
SCHEMBL8812284 0.85 CYP19A1 (0.41) MRGPRX4CYP19A1FNTAFNTBPGGT1B
SCHEMBL8808372 0.85 CSF1R (0.36) XDHMAOB
SCHEMBL8810273 0.84 MRGPRX4 (0.43) MRGPRX4
SCHEMBL8807665 0.84
SCHEMBL8807149 0.82 NPC1 (0.48) MRGPRX4CYP3A4
SCHEMBL8808406 0.82 MRGPRX4 (0.41) MRGPRX4
SCHEMBL8810163 0.82 MRGPRX4 (0.41) MRGPRX4
SCHEMBL8814947 0.81 AR (0.40) MRGPRX4MAOBCYP19A1
SCHEMBL8812391 0.77 XDH (0.38) XDHMRGPRX4MAOB

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