SCHEMBL8230665

SCHEMBL8230665

CC(O)C(C)CCCC(C)(C)OC(C)(C)C(C)CCCCCCO.CC/C=C\CCCCCO

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 3/20 0.33
LPAR3 Q9UBY5 3/20 0.33
LPAR1 Q92633 1/20 0.33
FABP3 P05413 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
SCHEMBL8198634 0.85 LPAR2 (0.33) LPAR2LPAR3LPAR1FABP3
SCHEMBL8198627 0.85 LPAR2 (0.33) LPAR2LPAR3LPAR1FABP3
SCHEMBL6438450 0.67 ALDH1A1 (0.50) LPAR2LPAR3LPAR1FABP3
SCHEMBL4335893 0.67 ALDH1A1 (0.50) LPAR2LPAR3LPAR1FABP3
SCHEMBL80254 0.67 ALDH1A1 (0.50) LPAR2LPAR3LPAR1FABP3
SCHEMBL25327373 0.67 ALDH1A1 (0.50) LPAR2LPAR3LPAR1FABP3
SCHEMBL5166020 0.67 ALDH1A1 (0.50) LPAR2LPAR3LPAR1FABP3
SCHEMBL4341933 0.67 ALDH1A1 (0.50) LPAR2LPAR3LPAR1FABP3
SCHEMBL25277182 0.67 LMNA (0.39)
SCHEMBL8695877 0.67 ALDH1A1 (0.50) LPAR2LPAR3LPAR1FABP3

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-1053223-A1 SERINE CARBONATES Givaudan SA (CH) 2000-11-22 EP disclosed
WO-2000034232-A1 SERINE CARBONATES GIVAUDAN SA (CH) 2000-06-15 WO disclosed