SCHEMBL3373796

SCHEMBL3373796

CCOC(=O)C(CC(=O)c1ccccc1)N1CCC[C@]1(C(=O)O)C(=O)[C@@H](N)CCCCNC(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
DPP8 Q6V1X1 4/20 0.34
DPP7 Q9UHL4 3/20 0.34
DPP9 Q86TI2 3/20 0.34
DPP4 P27487 2/20 0.34
CXCR3 P49682 3/20 0.33
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TYMS P04818 1/20 0.32
HSP90AA1 P07900 1/20 0.31
DRD3 P35462 1/20 0.31
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31

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
SCHEMBL3369565 0.88 DPP8 (0.38) DPP8DPP7DPP9DPP4POLB
SCHEMBL6619629 0.88 DPP8 (0.38) DPP8DPP7DPP9DPP4POLB
SCHEMBL5551891 0.83 DPP8 (0.36) DPP8DPP7DPP9DPP4POLB
SCHEMBL3372065 0.82 METAP2 (0.37) DPP8DPP7DPP9DPP4
SCHEMBL3370863 0.80 DPP8 (0.37) DPP8DPP7DPP9DPP4POLB
SCHEMBL7275536 0.79 DPP8 (0.36) DPP8DPP7DPP9DPP4POLB
SCHEMBL3368639 0.76 KMT2A (0.43) KMT2AMEN1NPC1DPP8DPP7
SCHEMBL9856515 0.76 KMT2A (0.43) KMT2AMEN1NPC1DPP8DPP7
SCHEMBL7266833 0.75 DPP8 (0.41) DPP8DPP7DPP9DPP4POLB
SCHEMBL10882100 0.74 DPP8 (0.40) DPP8DPP7DPP9DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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