SCHEMBL13322575

SCHEMBL13322575

CC(C)(CCCCOCCCCC(C)(C)CCOP(C)(=O)O)CCCOP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.42
LPAR2 Q9HBW0 6/20 0.42
LPAR1 Q92633 6/20 0.42
SAT1 P21673 1/20 0.36
LPAR5 Q9H1C0 1/20 0.34
FFAR1 O14842 1/20 0.30
CPT2 P23786 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL13322569 0.98 LPAR3 (0.43) LPAR3LPAR2LPAR1SAT1LPAR5
SCHEMBL13322565 0.97 LPAR3 (0.41) LPAR3LPAR2LPAR1SAT1LPAR5
SCHEMBL13322571 0.97 LPAR3 (0.44) LPAR3LPAR2LPAR1SAT1LPAR5
SCHEMBL13322584 0.97 LPAR3 (0.44) LPAR3LPAR2LPAR1SAT1LPAR5
SCHEMBL13322582 0.95 LPAR3 (0.46) LPAR3LPAR2LPAR1SAT1LPAR5
SCHEMBL3041746 0.94 LPAR3 (0.47) LPAR3LPAR2LPAR1LPAR5FFAR1
SCHEMBL3049272 0.92 LPAR3 (0.48) LPAR3LPAR2LPAR1LPAR5FFAR1
SCHEMBL3035022 0.91 LPAR3 (0.50) LPAR3LPAR2LPAR1LPAR5FFAR1
SCHEMBL3042655 0.91 LPAR3 (0.50) LPAR3LPAR2LPAR1LPAR5FFAR1
SCHEMBL3046776 0.91 LPAR3 (0.46) LPAR3LPAR2LPAR1LPAR5FFAR1

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
US-7709515-B2 Compositions comprising ether compounds and pharmaceutical uses therefor ESPERION THERAPEUTICS, INC. (US) 2010-05-04 US disclosed