SCHEMBL1650937

SCHEMBL1650937

NC(=O)CCCOP(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LPAR3 Q9UBY5 8/20 0.50
▸ LPAR2 Q9HBW0 6/20 0.50
▸ LPAR1 Q92633 4/20 0.50
▸ PGD P52209 1/20 0.41
▸ TPI1 P60174 2/20 0.40
▸ CA4 P22748 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ CSNK2A3 Q8NEV1 1/20 0.37
▸ PGK1 P00558 1/20 0.35
▸ PGK2 P07205 1/20 0.35

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
SCHEMBL13616539 0.91 LPAR3 (0.57) LPAR3LPAR2LPAR1PGDTPI1
SCHEMBL22661363 0.88 PGD (0.42) LPAR3LPAR2LPAR1PGDTPI1
Urea SCHEMBL28528722 0.85 LPAR3 (0.60) LPAR3LPAR2LPAR1PGDTPI1
SCHEMBL4533846 0.81 LPAR3 (0.50) LPAR3LPAR2LPAR1PGK1PGK2
SCHEMBL11386950 0.79 LPAR3 (0.48) LPAR3LPAR2LPAR1PGK1PGK2
SCHEMBL16792076 0.79 LPAR3 (0.54) LPAR3LPAR2LPAR1
SCHEMBL1576717 0.79 LPAR3 (0.64) LPAR3LPAR2LPAR1TPI1CSNK2A2
SCHEMBL1574125 0.79 LPAR3 (0.71) LPAR3LPAR2LPAR1TPI1CSNK2A2
SCHEMBL1106834 0.79 MVD (0.43) LPAR3LPAR2LPAR1PGDTPI1
SCHEMBL14647819 0.79 PLA2G2A (0.36) LPAR3LPAR2LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 — — US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 — — US disclosed
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