SCHEMBL3368639

SCHEMBL3368639

CCOC(=O)C(CC(=O)c1ccccc1)OC(=O)[C@@H](N)CCCCNC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX1 P07099 1/20 0.36
CXCR3 P49682 3/20 0.35
ANPEP P15144 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
TYMS P04818 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
NAAA Q02083 1/20 0.33

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
SCHEMBL9856515 1.00 KMT2A (0.43) KMT2AMEN1NPC1POLBNPSR1
SCHEMBL5348541 0.85 SMN1; SMN2 (0.41) KMT2APOLBANPEPSMN1; SMN2DPP8
SCHEMBL5349213 0.85 SMN1; SMN2 (0.41) KMT2APOLBANPEPSMN1; SMN2DPP8
SCHEMBL3369068 0.85 SMN1; SMN2 (0.41) KMT2APOLBANPEPSMN1; SMN2DPP8
SCHEMBL9022605 0.85 SMN1; SMN2 (0.41) KMT2APOLBANPEPSMN1; SMN2DPP8
SCHEMBL3373798 0.82 DPP8 (0.43) CXCR3SMN1; SMN2DPP8DPP7TYMS
SCHEMBL10778667 0.79 KMT2A (0.43) KMT2AMEN1NPC1POLBNPSR1
SCHEMBL3368632 0.78 KMT2A (0.44) KMT2AMEN1NPC1POLBNPSR1
SCHEMBL9856677 0.78 KMT2A (0.44) KMT2AMEN1NPC1POLBNPSR1
SCHEMBL3373748 0.77 ANPEP (0.42) KMT2AMEN1POLBANPEPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0239062-B1 N2-(1-CARBOXY-3-OXO-3-PHENYLPROPYL)-L-LYSINE COMPOUNDS AND THEIR DERIVATIVES KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-05-29 EP claimed
EP-1679303-B1 Process for preparing 1-alkoxycarbonyl-3-phenylpropyl derivative KANEKA CORP (JP) 2010-09-15 EP disclosed
EP-1679303-A1 Process for preparing 1-alkoxycarbonyl-3-phenylpropyl derivative Kaneka Corporation (JP) 2006-07-12 EP disclosed
EP-0903337-B1 PROCESS FOR THE PREPARATION OF 1-ALKOXYCARBONYL-3-PHENYLPROPYL DERIVATIVES KANEKA CORP (JP) 2006-04-12 EP disclosed
EP-0903337-A1 PROCESS FOR THE PREPARATION OF 1-ALKOXYCARBONYL-3-PHENYLPROPYL DERIVATIVES KANEKA CORPORATION (JP) 1999-03-24 EP disclosed
EP-0239062-B1 N2-(1-CARBOXY-3-OXO-3-PHENYLPROPYL)-L-LYSINE COMPOUNDS AND THEIR DERIVATIVES KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-05-29 EP disclosed
EP-0239062-A2 N2-(1-carboxy-3-oxo-3-phenylpropyl)-L-Lysine compounds and their derivatives KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-09-30 EP disclosed