SCHEMBL7436890

SCHEMBL7436890

CC(=O)O[C@H]1[C@@H](C(=O)[C@@H](N)Cc2ccccc2)C(=O)N1N

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
FAAH O00519 5/20 0.41
SLC15A1 P46059 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
ELANE P08246 3/20 0.39
LTA4H P09960 1/20 0.38
DPP4 P27487 1/20 0.38

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
SCHEMBL8086169 0.85 GNPAT (0.44)
SCHEMBL7451264 0.81 FAAH (0.43) FAAHHDAC8
SCHEMBL7546056 0.76 KMT2A (0.46) PKMHDAC8
SCHEMBL2617113 0.66 SLC7A5 (0.73) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1436467 0.66 SLC7A5 (0.73) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL12134916 0.66 SLC7A5 (0.73) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL475980 0.66 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5547318 0.66 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL13087400 0.66 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL8609032 0.65 SLC7A5 (0.92) ALPIPKMPTGS1XIAPSLC7A5

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-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