SCHEMBL8745278

SCHEMBL8745278

C=Cc1ccc(CSCCOCCSC(C)(C(=O)O)C(=O)O)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.34
PPARG P37231 6/20 0.34
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.32
PPARD Q03181 2/20 0.31
ALDH1A1 P00352 4/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL6393296 0.81 ALDH1A1 (0.41) CYP2C19POLBALDH1A1
SCHEMBL8752789 0.77 CHRNB2 (0.36) ALDH1A1
SCHEMBL8745127 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8752786 0.76 ALDH1A1 (0.35) ALDH1A1
SCHEMBL17861693 0.75 ALDH1A1 (0.38) ALDH1A1
SCHEMBL8745180 0.75 POLB (0.33) CYP2C19POLBALDH1A1HPGDLMNA
SCHEMBL8745145 0.75 CYP2C19 (0.40) PPARACYP2C19ALDH1A1HPGDMEN1
SCHEMBL8433054 0.75 CYP2C19 (0.35) CYP2C19POLBALDH1A1HPGDLMNA
SCHEMBL8417981 0.74 ALDH1A1 (0.37) ALDH1A1
SCHEMBL8745131 0.73 FOLH1 (0.34) CYP2C19POLBALDH1A1

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