SCHEMBL8630173

SCHEMBL8630173

CCCCCCCCCCCC(=O)NCCCCCCCCCCCC(=O)OCC

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
CASP2 P42575 1/20 0.62
GAA P10253 1/20 0.62
FAAH O00519 5/20 0.60
NAAA Q02083 1/20 0.59
DNM1 Q05193 2/20 0.57
EPHX2 P34913 3/20 0.55
DGKA P23743 1/20 0.55
SLC6A5 Q9Y345 2/20 0.54
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL27753495 0.97 L3MBTL1 (0.62) L3MBTL1CASP2GAAFAAHNAAA
SCHEMBL13129294 0.92 CASP2 (0.65) L3MBTL1CASP2GAAFAAHNAAA
SCHEMBL3092790 0.90 GAA (0.61) L3MBTL1CASP2GAAFAAHNAAA
SCHEMBL6898417 0.90 CYP3A4 (0.58) L3MBTL1CASP2GAAFAAHNAAA
SCHEMBL7724543 0.89 L3MBTL1 (0.65) L3MBTL1CASP2FAAHNAAADNM1
SCHEMBL21468101 0.89 L3MBTL1 (0.65) L3MBTL1CASP2FAAHNAAADNM1
SCHEMBL7737177 0.89 L3MBTL1 (0.65) L3MBTL1CASP2FAAHNAAADNM1
SCHEMBL21468095 0.89 L3MBTL1 (0.65) L3MBTL1CASP2FAAHNAAADNM1
SCHEMBL21467745 0.89 L3MBTL1 (0.65) L3MBTL1CASP2FAAHNAAADNM1
SCHEMBL20903685 0.89 L3MBTL1 (0.65) L3MBTL1CASP2FAAHNAAADNM1

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
EP-0847987-A1 Process for preparing amide derivatives, aminocarboxylic acid ester salts and their preparation KAO CORPORATION (JP) 1998-06-17 EP disclosed