SCHEMBL3369358

SCHEMBL3369358

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.42
TSHR P16473 1/20 0.40
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
REN P00797 1/20 0.34
CA14 Q9ULX7 2/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
GNAI3 P08754 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
SCHEMBL5351447 1.00 METAP2 (0.42) METAP2TSHREPHX1ALDH1A1POLB
SCHEMBL3372067 0.84 PEPD (0.39) METAP2TSHRPOLB
SCHEMBL5349213 0.77 SMN1; SMN2 (0.41) POLBSMN1; SMN2KMT2ACA12CA2
SCHEMBL3369068 0.77 SMN1; SMN2 (0.41) POLBSMN1; SMN2KMT2ACA12CA2
SCHEMBL5348541 0.77 SMN1; SMN2 (0.41) POLBSMN1; SMN2KMT2ACA12CA2
SCHEMBL9022605 0.77 SMN1; SMN2 (0.41) POLBSMN1; SMN2KMT2ACA12CA2
SCHEMBL3369356 0.77 TSHR (0.41) METAP2TSHREPHX1ALDH1A1POLB
SCHEMBL3372065 0.75 METAP2 (0.37) METAP2TSHREPHX1ALDH1A1
Proline SCHEMBL7375209 0.75 ACE (0.38) MEN1KMT2A
SCHEMBL3368639 0.74 KMT2A (0.43) EPHX1ALDH1A1POLBSMN1; SMN2MEN1

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