SCHEMBL13322500

SCHEMBL13322500

CCC(CC)(CCCCOCCCCC(CC)(CC)COP(C)(=O)O)CCCCOP(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.45
LPAR2 Q9HBW0 6/20 0.45
LPAR1 Q92633 6/20 0.45
LPAR5 Q9H1C0 1/20 0.36
SAT1 P21673 1/20 0.36
SMPD1 P17405 2/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
S1PR4 O95977 2/20 0.30
S1PR1 P21453 2/20 0.30
S1PR3 Q99500 2/20 0.30
S1PR5 Q9H228 2/20 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
SCHEMBL13322498 0.99 LPAR3 (0.44) LPAR3LPAR2LPAR1LPAR5SAT1
SCHEMBL13322495 0.96 LPAR3 (0.40) LPAR3LPAR2LPAR1LPAR5SAT1
SCHEMBL13322492 0.94 LPAR3 (0.40) LPAR3LPAR2LPAR1LPAR5SAT1
SCHEMBL13322502 0.92 LPAR3 (0.49) LPAR3LPAR2LPAR1LPAR5SAT1
SCHEMBL3051003 0.92 LPAR3 (0.49) LPAR3LPAR2LPAR1LPAR5SMPD1
SCHEMBL13322507 0.91 LPAR3 (0.47) LPAR3LPAR2LPAR1LPAR5SAT1
SCHEMBL13322504 0.91 LPAR3 (0.47) LPAR3LPAR2LPAR1LPAR5SAT1
SCHEMBL3048183 0.91 LPAR3 (0.47) LPAR3LPAR2LPAR1LPAR5SMPD1
SCHEMBL13322499 0.90 LPAR3 (0.46) LPAR3LPAR2LPAR1LPAR5SAT1
SCHEMBL3039226 0.89 LPAR3 (0.55) LPAR3LPAR2LPAR1LPAR5SMPD1

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