SCHEMBL8807332

SCHEMBL8807332

CC(=O)Oc1ccc(Oc2cc(OCc3cccnc3)ccc2C#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.52
MAPK14 Q16539 1/20 0.50
CYP11B1 P15538 2/20 0.48
GPR132 Q9UNW8 3/20 0.44
CYP11B2 P19099 1/20 0.43
ACACB O00763 1/20 0.43
MRGPRX4 Q96LA9 1/20 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
SCHEMBL8133729 0.92 CYP19A1 (0.47) CYP19A1MAPK14GPR132ACACBMRGPRX4
SCHEMBL8807328 0.81 MAPK14 (0.48) CYP19A1MAPK14GPR132
SCHEMBL8119481 0.78 MAOB (0.54) CYP19A1CYP11B1GPR132MRGPRX4
SCHEMBL8808917 0.77 XDH (0.45) CYP19A1MAPK14MRGPRX4
SCHEMBL8809211 0.76 MAOB (0.54) MRGPRX4
SCHEMBL21585879 0.76 BRD4 (0.48) MAPK14CYP11B1GPR132CYP11B2
SCHEMBL30359958 0.76 BRD4 (0.48) MAPK14CYP11B1GPR132CYP11B2
SCHEMBL8119668 0.76
SCHEMBL8812284 0.74 CYP19A1 (0.41) CYP19A1MRGPRX4
SCHEMBL8809208 0.74 MAOB (0.51) CYP11B1CYP11B2MRGPRX4

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