SCHEMBL8745128

SCHEMBL8745128

C=Cc1ccc(CSCCC(CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 10/20 0.45
CYP2C19 P33261 1/20 0.44
CPA3 P15088 1/20 0.42
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37

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
SCHEMBL8745154 0.88 CYP2C19 (0.39) FOLH1CYP2C19CPA3PTGER1PTGER4
SCHEMBL5674593 0.83 CYP2C19 (0.64) FOLH1CYP2C19PTGER1PTGER4PTGER3
SCHEMBL8745131 0.81 FOLH1 (0.34) FOLH1CYP2C19CPA3
SCHEMBL8745187 0.80 CPA3 (0.66) FOLH1CPA3
SCHEMBL8745143 0.74 CPA3 (0.40) FOLH1CPA3
SCHEMBL8436879 0.74 CYP2C19 (0.44) FOLH1CYP2C19PTGER1PTGER4PTGER3
SCHEMBL4885034 0.74 HTT (0.56) CYP2C19
SCHEMBL8435236 0.73 CYP2C19 (0.50) CYP2C19
SCHEMBL8745112 0.73 HPGD (0.51) FOLH1CYP2C19
SCHEMBL8436342 0.73 CYP2C19 (0.43) FOLH1CYP2C19PTGER1PTGER4PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0466220-B1 Carboxy containing monomers and polymers and latices prepared from same JOHNSON & JOHNSON CLIN DIAG (US) 1997-01-29 EP claimed
EP-0462670-B1 Use of 1-(1-pyrrolidinylcarbonyl)pyridinium salts to attach compounds to caboxylated particles & a kit containing same JOHNSON & JOHNSON CLIN DIAG (US) 1996-08-21 EP claimed
EP-0462644-B1 Biologically active reagents prepared from carboxy-containing polymer, analytical element and methods of use JOHNSON & JOHNSON CLIN DIAG (US) 1995-10-18 EP claimed