SCHEMBL9313747

SCHEMBL9313747

O=[C][C@H](CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 12/20 0.54
CTRB1 P17538 2/20 0.52
ATM Q13315 1/20 0.52
TACR1 P25103 1/20 0.50
CTSL P07711 2/20 0.49
CTSS P25774 2/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49

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
SCHEMBL10558449 1.00 CASP1 (0.54) CASP1CTRB1ATMTACR1CTSL
SCHEMBL8458841 0.89 CTRB1 (0.50) CASP1CTRB1ATMTACR1CTSL
SCHEMBL7296396 0.89 CTRB1 (0.50) CASP1CTRB1ATMTACR1CTSL
SCHEMBL7418478 0.87 TACR1 (0.55) CASP1CTRB1TACR1CTSLCTSS
SCHEMBL7298020 0.87 CTRB1 (0.54) CTRB1ATMTACR1CTSLCTSS
SCHEMBL7300784 0.87 CTRB1 (0.61) CTRB1ATMTACR1CTSLCTSS
SCHEMBL7172190 0.87 CTRB1 (0.54) CTRB1ATMTACR1CTSLCTSS
SCHEMBL4598612 0.87 CTRB1 (0.61) CTRB1ATMTACR1CTSLCTSS
SCHEMBL7169930 0.87 CTRB1 (0.54) CTRB1ATMTACR1CTSLCTSS
SCHEMBL7310119 0.87 CTRB1 (0.61) CTRB1ATMTACR1CTSLCTSS

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-0072015-B1 METHOD FOR PURIFYING N-BENZYLOXYCARBONYL ASPARTIC ACID PPG INDUSTRIES, INC. (US) 1984-10-31 EP claimed
EP-0072015-A1 Method for purifying N-benzyloxycarbonyl aspartic acid PPG INDUSTRIES, INC. (US) 1983-02-16 EP claimed
US-4350628-A OXIDATIVE DEHYDROGENATION WITH A BENZOQUINONE RESEARCH CORPORATION (US) 1982-09-21 US claimed
CN-1129705-A A method of preparing L-aspartyl-D-alpha-aminoalkanecarboxylic acid -(S)-N-alpha-alkylbenzylamide AJINOMOTO KK (JP) 1996-08-28 CN disclosed
US-5279946-A Process for the preparation of N-benzyloxycarbonyl-alpha-L-aspartyl-L-phenylalanine methyl ester DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 1994-01-18 US disclosed
EP-0550450-A1 USE OF CROSSLINKED CRYSTALS AS A NOVEL FORM OF ENZYME IMMOBILIZATION VERTEX PHARMACEUTICALS INCORPORATED (US) 1993-07-14 EP disclosed
WO-1992002617-A1 USE OF CROSSLINKED CRYSTALS AS A NOVEL FORM OF ENZYME IMMOBILIZATION VERTEX PHARMACEUTICALS INCORPORATED (US) 1992-02-20 WO disclosed
US-4997950-A Antisecretory MURPHY RICHARD FINBAR (US) 1991-03-05 US disclosed