SCHEMBL7312277

SCHEMBL7312277

COC(=O)CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.43
ACE P12821 7/20 0.43
CTSD P07339 4/20 0.42
CTSE P14091 4/20 0.42
KDM4E B2RXH2 1/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 1/20 0.41
PEPD P12955 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2A P28223 1/20 0.41
PTGS2 P35354 1/20 0.41
HRH1 P35367 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
ELANE P08246 1/20 0.41

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
SCHEMBL7364608 0.89 ACE (0.51) RENACEKDM4EF2LMNA
SCHEMBL7313910 0.84 ELANE (0.40) RENCTSDCTSEELANEBACE1
SCHEMBL29421107 0.83 ACE (0.45) RENACEKDM4EF2LMNA
SCHEMBL7313903 0.82 ELANE (0.40) RENCTSDCTSEF2ELANE
SCHEMBL2195410 0.79 ACE (0.50) RENACEKDM4EF2LMNA
SCHEMBL7320486 0.79 SMN1; SMN2 (0.48) RENACEKDM4EF2LMNA
SCHEMBL7320499 0.79 SMN1; SMN2 (0.48) RENACEKDM4EF2LMNA
SCHEMBL30051863 0.78 ACE (0.49) RENACEKDM4EF2LMNA
SCHEMBL7314536 0.77 MALT1 (0.51) RENACECTSDCTSEACE2
SCHEMBL5208748 0.77 CTSD (0.49) ACECTSDCTSELTA4HACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4691007-A HUMAN LEUKOCYTE ELASTASE INHIBITORS ICI AMERICAS INC. (US) 1987-09-01 US disclosed
US-4596789-A Pharmaceuticals ICI AMERICAS INC. (US) 1986-06-24 US disclosed
EP-0124317-A2 Proline derivatives ICI AMERICAS INC. (US) 1984-11-07 EP disclosed