SCHEMBL4748870

SCHEMBL4748870

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.40
AR P10275 8/20 0.38
GPR119 Q8TDV5 1/20 0.36
KDR P35968 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAPT P10636 1/20 0.35
DHODH Q02127 1/20 0.35
CYP2C9 P11712 1/20 0.35
P2RY12 Q9H244 1/20 0.35

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
SCHEMBL4748844 0.91 PGR (0.38) PGRGPR119MAPTDHODHCYP2C9
SCHEMBL4978023 0.85 PGR (0.45) PGRARSLC22A12
SCHEMBL4751018 0.84 PGR (0.43) PGRARKDRSLC22A12
SCHEMBL14021476 0.80 KDM4E (0.36) PGRGPR119MAPT
SCHEMBL14021725 0.80 PGR (0.39) PGRARKDRSLC22A12
SCHEMBL4607965 0.77 PGR (0.42) PGRARKDRSLC22A12
SCHEMBL4947332 0.77 PGR (0.38) PGRARKDRSLC22A12
SCHEMBL4752256 0.77 AR (0.39) PGRARGPR119KDRCYP11B2
SCHEMBL4609500 0.77 PGR (0.46) PGRARKDRSLC22A12
SCHEMBL4752244 0.76 PGR (0.39) PGRARKDRSLC22A12

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