SCHEMBL7439899

SCHEMBL7439899

CCC(=O)OC(=O)[C@@H](Nc1ccccc1)[C@@H](C)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
ANPEP P15144 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5274814 0.81 CYP2C9 (0.52) CYP2C9CYP2C19GAAMEN1KMT2A
SCHEMBL5274809 0.81 CYP2C9 (0.52) CYP2C9CYP2C19GAAMEN1KMT2A
SCHEMBL10448120 0.78 CYP2C9 (0.44) ELANECYP2C9CYP2C19MEN1KMT2A
SCHEMBL11574855 0.77 LMNA (0.43) GAALMNAPOLBALDH1A1CTSL
SCHEMBL7446539 0.77 PSMB5 (0.45) ELANEGAAALDH1A1ANPEP
SCHEMBL11574852 0.76 TDP1 (0.47) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL10448501 0.73 MEN1 (0.58) CYP2C9CYP2C19MEN1KMT2ALMNA
SCHEMBL28178535 0.72 CYP2C9 (0.51) CYP2C9CYP2C19GAAMEN1KMT2A
SCHEMBL10952879 0.72 GAA (0.50) GAAMEN1KMT2ALMNAPOLB
SCHEMBL29768237 0.72 GAA (0.50) GAAMEN1KMT2ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817795-B1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR NAEJA PHARMACEUTICAL INC (CA) 2000-11-15 EP claimed
US-5986108-A ENZYME INHIBITORS SYNPHAR LABORATORIES, INC. (CA) 1999-11-16 US claimed
EP-0817795-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES INC. (CA) 1998-01-14 EP claimed
WO-1996032408-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES, INC. (US) 1996-10-17 WO claimed
EP-0817795-B1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR NAEJA PHARMACEUTICAL INC (CA) 2000-11-15 EP disclosed
US-5986108-A ENZYME INHIBITORS SYNPHAR LABORATORIES, INC. (CA) 1999-11-16 US disclosed
EP-0817795-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES INC. (CA) 1998-01-14 EP disclosed
WO-1996032408-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES, INC. (US) 1996-10-17 WO disclosed