SCHEMBL4960690

SCHEMBL4960690

Cc1cc(Oc2c(C3CC3)nn(CC(=O)O)c2C2CC2)cc(C)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.35
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 5/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MCL1 Q07820 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MAPK1 P28482 2/20 0.32
RCE1 Q9Y256 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
DPP4 P27487 1/20 0.31
KCNH2 Q12809 1/20 0.31
HSD17B10 Q99714 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4110151 0.91 ALDH1A1 (0.35) PGRALDH1A1KDM4ELMNAMEN1
SCHEMBL4100044 0.91 PGR (0.36) PGRALDH1A1KDM4ELMNAMEN1
SCHEMBL4107682 0.89 PGR (0.46) PGRALDH1A1KDM4ELMNAMEN1
SCHEMBL4959655 0.87 MRGPRX4 (0.39) PGRMCL1FFAR4DPP4KCNH2
SCHEMBL4110176 0.85 KDM4E (0.34) PGRALDH1A1KDM4ELMNAMEN1
SCHEMBL4607471 0.83 PGR (0.43) PGRALDH1A1KDM4ELMNAMEN1
SCHEMBL4959617 0.82 PGR (0.50) PGREPHX2ALDH1A1KDM4ELMNA
SCHEMBL4102620 0.81 ALDH1A1 (0.35) PGRALDH1A1KDM4ELMNAMEN1
SCHEMBL4104136 0.81 LMNA (0.36) PGRALDH1A1KDM4ELMNAMEN1
SCHEMBL4104393 0.81 KDM4E (0.34) PGRALDH1A1KDM4ELMNAMEN1

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