SCHEMBL8745131

SCHEMBL8745131

C=Cc1ccc(CSCCOCCSCCC(CC(=O)O)C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.34
CYP2C19 P33261 3/20 0.33
CPA1 P15085 2/20 0.33
CPB1 P15086 1/20 0.33
CPA3 P15088 1/20 0.33
CPB2 Q96IY4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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 0.92 CYP2C19 (0.39) FOLH1CYP2C19CPA1CPB1CPA3
SCHEMBL8745128 0.81 FOLH1 (0.45) FOLH1CYP2C19CPA3
SCHEMBL6393296 0.78 ALDH1A1 (0.41) CYP2C19ALDH1A1POLBCYP2C9
SCHEMBL8745145 0.77 CYP2C19 (0.40) FOLH1CYP2C19ALDH1A1
SCHEMBL8745127 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8433054 0.74 CYP2C19 (0.35) CYP2C19ALDH1A1POLBCYP2C9SMN1; SMN2
SCHEMBL8752786 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8745278 0.73 PPARA (0.34) CYP2C19ALDH1A1POLB
SCHEMBL17861693 0.73 ALDH1A1 (0.38) ALDH1A1
SCHEMBL8745180 0.72 POLB (0.33) CYP2C19ALDH1A1POLBSMN1; SMN2

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