SCHEMBL7206972

SCHEMBL7206972

CCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)NCCCCCCCC)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.57
MEN1 O00255 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
LPAR3 Q9UBY5 4/20 0.54
LPAR1 Q92633 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
EPHX1 P07099 3/20 0.50
CASP2 P42575 1/20 0.50
EPHX2 P34913 1/20 0.48
PLA2G10 O15496 1/20 0.48
SLC6A5 Q9Y345 1/20 0.48
PLA2G2A P14555 1/20 0.48
PLA2G5 P39877 1/20 0.48
DNM1 Q05193 1/20 0.47
NAAA Q02083 1/20 0.47
GRIA1 P42261 1/20 0.47

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
SCHEMBL5822159 0.98 FAAH (0.59) FAAHMEN1MAPK1KMT2ALPAR3
SCHEMBL5822156 0.98 FAAH (0.59) FAAHMEN1MAPK1KMT2ALPAR3
SCHEMBL21356914 0.94 PLA2G10 (0.56) FAAHMEN1MAPK1KMT2ALPAR3
SCHEMBL21356916 0.94 PLA2G10 (0.56) FAAHMEN1MAPK1KMT2ALPAR3
SCHEMBL21356915 0.94 PLA2G10 (0.56) FAAHMEN1MAPK1KMT2ALPAR3
SCHEMBL5819687 0.89 FAAH (0.56) FAAHMEN1MAPK1KMT2ALPAR3
SCHEMBL16804862 0.88 FAAH (0.54) FAAHMEN1MAPK1KMT2ALPAR3
SCHEMBL13870520 0.88 FAAH (0.54) FAAHMEN1MAPK1KMT2ALPAR3
SCHEMBL16804867 0.88 FAAH (0.54) FAAHMEN1MAPK1KMT2ALPAR3
SCHEMBL13870562 0.86 LPAR3 (0.46) FAAHMEN1MAPK1KMT2ALPAR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1094059-B1 Process for production of N-acyl amino acid amide AJINOMOTO KK (JP) 2003-03-26 EP disclosed
US-6335468-B1 CONDENSING N-ACYL AMINO ACID OR SALT THEREOF WITH AMINE AND/OR AMMONIA UNDER DEHYDRATING CONDITIONS IN PRESENCE OF BORON COMPOUND AS CATALYST WITH ALCOHOL COEXISTENT AS AUXILIARY SOLVENT AJINOMOTO CO., INC. (JP) 2002-01-01 US disclosed
EP-1094059-A1 Process for production of N-acyl amino acid amide Ajinomoto Co., Inc. (JP) 2001-04-25 EP disclosed