SCHEMBL8658774

SCHEMBL8658774

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

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ LMNA P02545 1/20 0.74
▸ CTSL P07711 3/20 0.74
▸ CTSS P25774 3/20 0.74
▸ CTSB P07858 3/20 0.74
▸ CTSK P43235 5/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ CASP3 P42574 2/20 0.61
▸ MME P08473 1/20 0.54
▸ ECE1 P42892 1/20 0.54
▸ ATM Q13315 1/20 0.51

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
SCHEMBL13888698 1.00 MEN1 (0.74) MEN1KMT2ALMNACTSLCTSS
SCHEMBL13888695 0.97 MEN1 (0.71) MEN1KMT2ALMNACTSLCTSS
SCHEMBL2446560 0.88 CTSL (0.80) MEN1KMT2ALMNACTSLCTSS
SCHEMBL7049933 0.88 CTSB (0.72) MEN1KMT2ALMNACTSLCTSS
SCHEMBL24734375 0.88 CTSL (0.71) MEN1KMT2ALMNACTSLCTSS
SCHEMBL5145628 0.88 CTSL (0.71) MEN1KMT2ALMNACTSLCTSS
SCHEMBL8837339 0.88 CTSL (0.71) MEN1KMT2ALMNACTSLCTSS
SCHEMBL8837344 0.88 CTSL (0.71) MEN1KMT2ALMNACTSLCTSS
SCHEMBL13888701 0.88 CTSL (0.60) MEN1KMT2ALMNACTSLCTSS
SCHEMBL221434 0.88 CTSL (0.71) MEN1KMT2ALMNACTSLCTSS

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 5 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
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
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