SCHEMBL17860894

SCHEMBL17860894

CCCOP(=O)(O)CCC(=O)I

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.39
CETP P11597 4/20 0.36
LPAR3 Q9UBY5 3/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR2 Q9HBW0 2/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.30
LPAR5 Q9H1C0 1/20 0.30

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
SCHEMBL17860892 0.82 PPARD (0.38) PPARDLPAR3LPAR1LPAR2MEN1
SCHEMBL17860960 0.82 PPARD (0.41) PPARDCETPLPAR3LPAR1LPAR2
SCHEMBL779021 0.79 LPAR3 (0.48) PPARDCETPLPAR3LPAR1LPAR2
SCHEMBL7636250 0.79 PPARD (0.48) PPARDCETPLPAR3LPAR1LPAR2
SCHEMBL17878630 0.78 PPARD (0.37) PPARDCETPLPAR3LPAR1LPAR2
SCHEMBL28663420 0.76 CETP (0.57) CETPLPAR3LPAR1LPAR2LPAR5
SCHEMBL899361 0.76 PPARD (0.52) PPARDCETPLPAR3LPAR1LPAR2
SCHEMBL777791 0.72
SCHEMBL812032 0.71 CYP3A4 (0.56) PPARDCETPLPAR3LPAR1LPAR2
SCHEMBL17626598 0.70 LPAR3 (0.41) PPARDLPAR3LPAR1LPAR2MEN1

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
WO-2016100578-A2 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed