SCHEMBL4727702

SCHEMBL4727702

CCC(Oc1ccc(CC=NOCCn2c(C)ccc2-c2ccc(SC)cc2)cc1C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
TBXA2R P21731 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
PDE4A P27815 1/20 0.51
ADRA1A P35348 1/20 0.51
DRD3 P35462 1/20 0.51
PPARA Q07869 3/20 0.37
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.32
PTPN1 P18031 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4726347 0.85 PGR (0.46) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4726776 0.79 PPARA (0.44) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL4728913 0.71 PPARA (0.51) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL4727902 0.69 PPARA (0.42) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL4728593 0.69 PPARA (0.48) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL4729759 0.69 PPARA (0.41) PPARAPPARGPPARDPTPN1SMN1; SMN2
Saroglitazar SCHEMBL12472346 0.68 PGR (1.00) PGRADORA3CHRM1TBXA2RPTGS1
Saroglitazar SCHEMBL16346340 0.68 PGR (1.00) PGRADORA3CHRM1TBXA2RPTGS1
Saroglitazar SCHEMBL22410890 0.67 PGR (0.98) PGRADORA3CHRM1TBXA2RPTGS1
Saroglitazar SCHEMBL22410740 0.67 PGR (0.98) PGRADORA3CHRM1TBXA2RPTGS1

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-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO claimed
WO-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO disclosed