SCHEMBL8664353

SCHEMBL8664353

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

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.68
CTSS P25774 4/20 0.68
CTSB P07858 3/20 0.68
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
LMNA P02545 1/20 0.65
CTSK P43235 3/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
RAB9A P51151 1/20 0.63
CASP3 P42574 2/20 0.56
ECE1 P42892 2/20 0.53
MME P08473 1/20 0.53
ATM Q13315 1/20 0.52
HSP90AA1 P07900 2/20 0.52
HSP90AB1 P08238 2/20 0.52

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
SCHEMBL1783371 1.00 CTSL (0.68) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL10448131 1.00 CTSL (0.68) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL221435 0.89 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL8837344 0.89 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL8837339 0.89 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL24734375 0.89 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL5145628 0.89 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL7264750 0.89 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL221434 0.89 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL8662503 0.88 CTSB (0.70) CTSLCTSSCTSBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763631-A CIS-EPOXIDE COMPOUNDS; ANTIVIRUS AGENTS; USEFUL TO TREAT THE AIDS LUCKY LIMITED (KR) 1998-06-09 US disclosed
US-5744621-A CIS-EPOXIDE COMPOUNDS LUCKY LIMITED. (KR) 1998-04-28 US disclosed
EP-0601486-B1 Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation LUCKY LTD (KR) 1997-10-29 EP disclosed
US-5587388-A AIDS; VIRICIDES LUCKY LIMITED (KR) 1996-12-24 US disclosed
WO-1995004740-A1 7α-AMINO-1,1-DIOXOCEFEM L-VALYLAMIDES DOMPE' S.P.A. (IT) 1995-02-16 WO disclosed
EP-0601486-A1 Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation LUCKY LTD. (KR) 1994-06-15 EP disclosed
EP-0386611-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-09-12 EP disclosed
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 EP disclosed
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 US disclosed