SCHEMBL6527718

SCHEMBL6527718

CC(C)(CCCCC(=O)CCCCC(C)(C)COP(=O)(O)O)CO[PH](=O)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
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
SCHEMBL6468999 0.89 FFAR1 (0.38) FFAR1CPT2TDP1S1PR4S1PR1
SCHEMBL6464982 0.88 FFAR1 (0.41) FFAR1CPT2TDP1S1PR4S1PR1
SCHEMBL6467870 0.88 FFAR1 (0.41) FFAR1CPT2TDP1S1PR4S1PR1
SCHEMBL6473864 0.86 FFAR1 (0.40) FFAR1CPT2TDP1S1PR4S1PR1
SCHEMBL2622472 0.84 FFAR1 (0.34) FFAR1CPT2TDP1
SCHEMBL3279503 0.83 FFAR1 (0.34) FFAR1CPT2TDP1S1PR4S1PR1
SCHEMBL2622469 0.82 FFAR1 (0.37) FFAR1CPT2TDP1S1PR4S1PR1
SCHEMBL3280332 0.80 LPAR3 (0.32) FFAR1CPT2TDP1S1PR4S1PR1
SCHEMBL8743769 0.79 LPAR3 (0.33) FFAR1CPT2TDP1S1PR4S1PR1
SCHEMBL3285610 0.76 GRM4 (0.32) S1PR4S1PR1S1PR3S1PR5

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
EP-1497247-A2 MIMICS OF ACYL COENZYME-A, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2005-01-19 EP disclosed
WO-2003087108-A2 MIMICS OF ACYL COENZYME-A, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2003-10-23 WO disclosed