SCHEMBL4633969

SCHEMBL4633969

CCN(CC)C(=O)COc1ccc(CCC(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
LMNA P02545 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
FFAR1 O14842 11/20 0.56
TRPM8 Q7Z2W7 3/20 0.56
FFAR4 Q5NUL3 4/20 0.54

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
SCHEMBL10436867 0.84 NPC1 (0.60) NPC1RAB9ALMNATRPM8
SCHEMBL1205605 0.82 LMNA (0.75) LMNAL3MBTL1FFAR1FFAR4
SCHEMBL8849741 0.81 FFAR1 (0.67) LMNAL3MBTL1FFAR1FFAR4
SCHEMBL8551105 0.81 LMNA (0.63) LMNAL3MBTL1FFAR1FFAR4
SCHEMBL3693042 0.80 LMNA (0.62) LMNAL3MBTL1FFAR1FFAR4
SCHEMBL5283269 0.79 FFAR1 (0.56) LMNAL3MBTL1FFAR1TRPM8FFAR4
SCHEMBL10013763 0.79 NPC1 (0.81) NPC1RAB9ALMNATRPM8
SCHEMBL469923 0.78 FFAR1 (0.69) LMNAL3MBTL1FFAR1FFAR4
SCHEMBL24723566 0.77 LMNA (0.62) LMNAL3MBTL1FFAR1FFAR4
SCHEMBL1586881 0.77 FFAR1 (0.63) LMNAL3MBTL1FFAR1FFAR4

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-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed