SCHEMBL8666983

SCHEMBL8666983

CCOP(=O)(CCCc1ccc(C([O])=O)cc1)OCC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.43
PPARD Q03181 1/20 0.41
RARB P10826 4/20 0.40
CYP4A11 Q02928 2/20 0.40
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
CYP4F2 P78329 1/20 0.39
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL8668413 0.91 PPARD (0.43) PLK1PPARDRARBTHRB
SCHEMBL3486531 0.88 RARB (0.54) PLK1RARBTRPV1
SCHEMBL8671670 0.81 HDAC1 (0.45) PLK1PPARD
SCHEMBL1835123 0.80 TAAR1 (0.42) PPARD
SCHEMBL1833138 0.80 FDPS (0.43) PPARD
SCHEMBL11795292 0.80 MAOB (0.43) PPARD
SCHEMBL8658558 0.79 CETP (0.45)
SCHEMBL8668415 0.78 ALDH1A1 (0.50) PLK1PPARDRARB
SCHEMBL9602529 0.76 HRH1 (0.41) PPARD
SCHEMBL10726455 0.76 CYP4A11 (0.54) CYP4A11CYP4F2

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-0638581-B1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMA CO LTD (JP) 1998-12-23 EP disclosed
US-5480874-A THIAZOLE AND IMIDAZOLE DERIVATIVES; ANTIHYPERLIPIDEMICS AND HYPOGLYCEMICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-01-02 US disclosed
EP-0638581-A1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1995-02-15 EP disclosed