SCHEMBL4329062

SCHEMBL4329062

CCCOc1ccc(COC(=O)NCc2cccc([C@H](CC(=O)O)OC(C)C)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.42
FAAH O00519 2/20 0.41
NAAA Q02083 1/20 0.41
ASAH1 Q13510 1/20 0.41
FFAR1 O14842 4/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL4334667 0.89 NPC1 (0.49) MAPTL3MBTL1SMN1; SMN2FFAR1ALDH1A1
SCHEMBL4342343 0.88 FFAR1 (0.41) MAPTL3MBTL1SMN1; SMN2FAAHFFAR1
SCHEMBL4332643 0.87 CASP1 (0.42) MAPTSMN1; SMN2NAAAASAH1ALDH1A1
SCHEMBL4334154 0.86 LMNA (0.44) MAPTL3MBTL1SMN1; SMN2FFAR1ALDH1A1
SCHEMBL4342514 0.85 ALDH1A1 (0.42) MAPTSMN1; SMN2FFAR1ALDH1A1CYP2C19
SCHEMBL4331854 0.85 OPRM1 (0.44) MAPTL3MBTL1
SCHEMBL4328963 0.84 PTGDR2 (0.47) FFAR1
SCHEMBL4339537 0.82 HDAC1 (0.40) L3MBTL1SMN1; SMN2FFAR1ALDH1A1CYP2C19
SCHEMBL4329063 0.82 MAPT (0.49) MAPTL3MBTL1FAAHNAAAASAH1
SCHEMBL4329058 0.82 MAPT (0.49) MAPTL3MBTL1FAAHNAAAASAH1

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed