SCHEMBL4962255

SCHEMBL4962255

Cc1cc(Oc2c(C)nn(CC(=O)O)c2C2CC2)ccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.40
FFAR4 Q5NUL3 3/20 0.39
PGR P06401 3/20 0.38
AR P10275 5/20 0.36
NR3C2 P08235 1/20 0.35
USP30 Q70CQ3 1/20 0.35
MCL1 Q07820 1/20 0.34
KDM1A O60341 1/20 0.34
XDH P47989 1/20 0.34

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
SCHEMBL4959655 0.91 MRGPRX4 (0.39) MRGPRX4FFAR4PGRARNR3C2
SCHEMBL4098285 0.89 PGR (0.48) MRGPRX4FFAR4PGRARNR3C2
SCHEMBL4100044 0.87 PGR (0.36) FFAR4PGRMCL1
SCHEMBL4958159 0.85 PGR (0.52) PGR
SCHEMBL4976120 0.84 PGR (0.46) MRGPRX4FFAR4PGRAR
SCHEMBL4098007 0.82 MRGPRX4 (0.37) MRGPRX4FFAR4PGRARNR3C2
SCHEMBL4112533 0.81 PGR (0.48) MRGPRX4FFAR4PGRARNR3C2
SCHEMBL4959670 0.79 MRGPRX4 (0.39) MRGPRX4PGRAR
SCHEMBL4104136 0.78 LMNA (0.36) PGRKDM1A
SCHEMBL4960690 0.78 PGR (0.35) FFAR4PGRMCL1

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-1874732-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS Pfizer Limited (GB) 2008-01-09 EP disclosed
WO-2006111856-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2006-10-26 WO disclosed