SCHEMBL4748844

SCHEMBL4748844

CCOC(=O)c1c(Oc2ccc(C#N)c(C)c2)c(C2CC2)nn1CS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.38
MAPT P10636 1/20 0.36
P2RY12 Q9H244 5/20 0.36
CYP2C9 P11712 3/20 0.36
MAP2K1 Q02750 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
DHODH Q02127 1/20 0.34
CYP3A4 P08684 2/20 0.34
CHRM2 P08172 1/20 0.34
DRD3 P35462 1/20 0.34
HCRTR2 O43614 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4748870 0.91 PGR (0.40) PGRMAPTP2RY12CYP2C9GPR119
SCHEMBL4607965 0.86 PGR (0.42) PGRMRGPRX4HCRTR2
SCHEMBL4609500 0.85 PGR (0.46) PGRMRGPRX4HCRTR2
SCHEMBL14021476 0.85 KDM4E (0.36) PGRMAPTKDM4EGPR119HSD17B10
SCHEMBL4752244 0.85 PGR (0.39) PGRMRGPRX4HCRTR2
SCHEMBL4748816 0.81 PGR (0.36) PGRMRGPRX4HCRTR2
SCHEMBL4884834 0.80 PGR (0.36) PGRMRGPRX4HCRTR2
SCHEMBL4962986 0.80 ATM (0.41) PGRMAPTKDM4EMRGPRX4HSD17B10
SCHEMBL4751693 0.79 DHODH (0.39) MAPTKDM4EGPR119DHODHHSD17B10
SCHEMBL4976120 0.79 PGR (0.46) PGRMRGPRX4HCRTR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008135824-A1 OXYALKYLPYRAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2008-11-13 WO disclosed