SCHEMBL3373748

SCHEMBL3373748

N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)OC(CCc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.42
DPP8 Q6V1X1 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
MLYCD O95822 2/20 0.41
POLB P06746 2/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
DPP4 P27487 1/20 0.39
DPP9 Q86TI2 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP8 P22894 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIK1 P39086 1/20 0.37

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
SCHEMBL5353931 1.00 ANPEP (0.42) ANPEPDPP8DPP7MLYCDPOLB
SCHEMBL7276985 0.93 ANPEP (0.41) ANPEPDPP8DPP7MLYCDPOLB
SCHEMBL5348541 0.90 SMN1; SMN2 (0.41) ANPEPDPP8DPP7MLYCDPOLB
SCHEMBL3369068 0.90 SMN1; SMN2 (0.41) ANPEPDPP8DPP7MLYCDPOLB
SCHEMBL9022605 0.90 SMN1; SMN2 (0.41) ANPEPDPP8DPP7MLYCDPOLB
SCHEMBL5349213 0.90 SMN1; SMN2 (0.41) ANPEPDPP8DPP7MLYCDPOLB
SCHEMBL7266809 0.85 DPP8 (0.42) ANPEPDPP8DPP7MLYCDPOLB
SCHEMBL7275820 0.85 DPP8 (0.42) ANPEPDPP8DPP7MLYCDPOLB
Proline SCHEMBL7374724 0.81 DPP8 (0.37) ANPEPDPP8DPP7MLYCDDPP4
SCHEMBL9856551 0.81 PPARG (0.48) ANPEPDPP8DPP7PPARGPPARA

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