SCHEMBL7414752

SCHEMBL7414752

CC(C)OC(=O)OC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PEPD P12955 3/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSH P09668 2/20 0.39
CTSK P43235 2/20 0.39
DPP4 P27487 3/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
XPNPEP1 Q9NQW7 1/20 0.37
ACE P12821 6/20 0.37
REN P00797 4/20 0.37
KDM4E B2RXH2 1/20 0.37
F2 P00734 1/20 0.37
LMNA P02545 1/20 0.37
LTA4H P09960 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
PTGS1 P23219 1/20 0.37
HTR2A P28223 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
SCHEMBL7383096 0.89 PEPD (0.46) PEPDDPP4DPP8DPP9DPP7
SCHEMBL7382440 0.86 PEPD (0.39) PEPDDPP4DPP8DPP9DPP7
SCHEMBL7372846 0.86 PEPD (0.39) PEPDDPP4DPP8DPP9DPP7
SCHEMBL7372852 0.84 FKBP1A (0.40) PEPDCTSLCTSBCTSHCTSK
SCHEMBL7412840 0.84 FKBP1A (0.40) PEPDCTSLCTSBCTSHCTSK
SCHEMBL21536110 0.79 PEPD (0.54) PEPDCTSLCTSBCTSHCTSK
Hydrochloric Acid SCHEMBL28286265 0.78 PEPD (0.53) PEPDCTSLCTSBCTSHCTSK
Hydrochloric Acid SCHEMBL28286264 0.78 PEPD (0.53) PEPDCTSLCTSBCTSHCTSK
SCHEMBL7525607 0.76 CTSK (0.36) CTSLCTSBCTSHCTSKREN
Hydrochloric Acid SCHEMBL19745377 0.72 ACE (0.50) PEPDACERENKDM4EF2

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-0922054-B1 ANTICOAGULANT PEPTIDYL-ARGININE ALDEHYDE DERIVATIVES GYOGYSZERKUTATO INTEZET (HU) 2002-08-14 EP disclosed
US-6235707-B1 Anticoagulant peptidyl-arginine aldehyde derivatives GYOGYSZERKUTATO INTEZET KFT. (HU) 2001-05-22 US disclosed
EP-0922054-A1 ANTICOAGULANT PEPTIDYL-ARGININE ALDEHYDE DERIVATIVES GYOGYSZERKUTATO INTEZET KFT. (HU) 1999-06-16 EP disclosed
WO-1997046576-A1 ANTICOAGULANT PEPTIDYL-ARGININE ALDEHYDE DERIVATIVES Gyógyszerkutató Intézet Kft. (HU) 1997-12-11 WO disclosed