SCHEMBL4748816

SCHEMBL4748816

Cc1cc(Oc2c(C3CCC3)nn(CS(C)(=O)=O)c2CO)ccc1C#N

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.36
HRH3 Q9Y5N1 1/20 0.35
FEN1 P39748 2/20 0.33
ALOX5AP P20292 1/20 0.33
DPP4 P27487 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDR P35968 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
USP30 Q70CQ3 1/20 0.32
AR P10275 1/20 0.32
NR3C2 P08235 1/20 0.31
HCRTR2 O43614 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
FASN P49327 1/20 0.30
CRHR1 P34998 1/20 0.30
FFAR4 Q5NUL3 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 0.96 PGR (0.39) PGRHRH3KDRSLC22A12USP30
SCHEMBL4789550 0.88 PGR (0.34) PGRHRH3FEN1ALOX5APDPP4
SCHEMBL4904300 0.88 PGR (0.34) PGRDPP4KCNH2
SCHEMBL4751018 0.86 PGR (0.43) PGRKDRSLC22A12AR
SCHEMBL4607965 0.85 PGR (0.42) PGRHRH3KDRSLC22A12AR
SCHEMBL4884834 0.84 PGR (0.36) PGRHRH3DPP4KCNH2KDR
SCHEMBL4609500 0.84 PGR (0.46) PGRHRH3KDRSLC22A12AR
SCHEMBL4748819 0.84 PGR (0.37) PGR
SCHEMBL4748844 0.81 PGR (0.38) PGRHCRTR2MRGPRX4
SCHEMBL14022511 0.81 ALOX5AP (0.31) PGRFEN1ALOX5AP

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