SCHEMBL4959656

SCHEMBL4959656

CCc1nn(CC(=O)O)c(CC)c1Oc1cc(C)c(C#N)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.42
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
PGR P06401 3/20 0.34
KCNH2 Q12809 2/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32

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
SCHEMBL4099713 0.90 PGR (0.42) PTGDR2KDM4EALDH1A1LMNAPGR
SCHEMBL4102883 0.88 PGR (0.44) PTGDR2KDM4EALDH1A1LMNAPGR
SCHEMBL5226673 0.86 KCNH2 (0.47) PTGDR2ALOX15PGRKCNH2
SCHEMBL4104516 0.85 KCNH2 (0.36) KDM4EALDH1A1LMNAKCNH2USP2
SCHEMBL4112540 0.84 PGR (0.38) KDM4EALDH1A1LMNAPGRKCNH2
SCHEMBL4654589 0.82 PGR (0.41) KDM4EALDH1A1LMNAPGRKCNH2
SCHEMBL4118214 0.82 PGR (0.52) PTGDR2ALOX15KDM4ELMNAPGR
SCHEMBL4959580 0.81 ALDH1A1 (0.44) ALOX15KDM4EALDH1A1LMNAHPGD
SCHEMBL4102616 0.81 PGR (0.39) KDM4EALDH1A1LMNAPGRKCNH2
SCHEMBL4810598 0.81 PTGDR2 (0.45) PTGDR2ALOX15KDM4EALDH1A1PGR

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