SCHEMBL28292031

SCHEMBL28292031

CCCOP(=O)(CCC)OCCCO

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.47
CYP3A4 P08684 1/20 0.40
LPAR3 Q9UBY5 5/20 0.39
LPAR1 Q92633 3/20 0.39
LPAR2 Q9HBW0 3/20 0.39
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL4451725 0.86 PPARD (0.48) PPARDCYP3A4LPAR3LPAR1LPAR2
SCHEMBL27453510 0.85 CYP3A4 (0.56) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL575421 0.85 PPARD (0.42) PPARDCYP3A4LPAR3LPAR1LPAR2
SCHEMBL4451195 0.83 PPARD (0.67) PPARDCYP3A4LPAR3LPAR1LPAR2
SCHEMBL11237356 0.83 PPARD (0.54) PPARDCYP3A4LPAR3LPAR1LPAR2
SCHEMBL6756459 0.83 PPARD (0.39) PPARDLPAR3LPAR1LPAR2
SCHEMBL28846282 0.82 LPAR3 (0.55) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL4460809 0.82 CYP3A4 (0.52) PPARDCYP3A4LPAR3LPAR1LPAR2
SCHEMBL4451507 0.81 CYP3A4 (0.61) PPARDCYP3A4LPAR3LPAR1LPAR2
SCHEMBL15250938 0.80 PPARD (0.47) PPARDCYP3A4LPAR3LPAR1LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109609245-A With the new viscosity index improver for limiting molecular weight distribution 赢创油品添加剂有限公司 2019-04-12 CN disclosed