SCHEMBL4884834

SCHEMBL4884834

Cc1cc(Oc2c(C3CC3)nn(CS(C)(=O)=O)c2CO[PH](=O)O)ccc1C#N

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.36
KDR P35968 1/20 0.31
HCRTR2 O43614 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
DPP4 P27487 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL4752244 0.88 PGR (0.39) PGRKDRHCRTR2MRGPRX4SLC22A12
SCHEMBL4947332 0.88 PGR (0.38) PGRKDRSLC22A12
SCHEMBL4888214 0.86 PGR (0.32) PGRDPP4KCNH2
SCHEMBL4789550 0.85 PGR (0.34) PGRKDRMRGPRX4DPP4KCNH2
SCHEMBL4748816 0.84 PGR (0.36) PGRKDRHCRTR2MRGPRX4SLC22A12
SCHEMBL4607965 0.84 PGR (0.42) PGRKDRHCRTR2MRGPRX4SLC22A12
SCHEMBL4609500 0.83 PGR (0.46) PGRKDRHCRTR2MRGPRX4SLC22A12
SCHEMBL4748844 0.80 PGR (0.38) PGRHCRTR2MRGPRX4
SCHEMBL14021725 0.79 PGR (0.39) PGRKDRSLC22A12
SCHEMBL4751018 0.78 PGR (0.43) PGRKDRSLC22A12

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