SCHEMBL3372067

SCHEMBL3372067

CCOC(=O)C(CCC1CCCCC1)OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCNC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.39
DPP4 P27487 6/20 0.36
DPP8 Q6V1X1 5/20 0.36
DPP7 Q9UHL4 5/20 0.36
DPP9 Q86TI2 4/20 0.36
FKBP1A P62942 6/20 0.36
METAP2 P50579 1/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
FAP Q12884 2/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL9022277 0.85 ACE (0.52) DPP4DPP8DPP7DPP9FKBP1A
SCHEMBL5720655 0.85 ACE (0.52) DPP4DPP8DPP7DPP9FKBP1A
SCHEMBL3369568 0.85 ACE (0.52) DPP4DPP8DPP7DPP9FKBP1A
SCHEMBL3369358 0.84 METAP2 (0.42) METAP2TSHRPOLB
SCHEMBL5351447 0.84 METAP2 (0.42) METAP2TSHRPOLB
SCHEMBL3373798 0.83 DPP8 (0.43) PEPDDPP4DPP8DPP7DPP9
SCHEMBL12886523 0.77 DPP4 (0.43) PEPDDPP4DPP8DPP7DPP9
SCHEMBL1228230 0.77 DPP4 (0.43) PEPDDPP4DPP8DPP7DPP9
SCHEMBL3370866 0.76 ACE (0.49) DPP4DPP8DPP7DPP9FKBP1A
SCHEMBL7275548 0.75 DPP4 (0.47) DPP4DPP8DPP7DPP9FKBP1A

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