SCHEMBL6447745

SCHEMBL6447745

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.66
KLK5 Q9Y337 2/20 0.59
PSEN1 P49768 3/20 0.54
PSEN2 P49810 3/20 0.54
APH1B Q8WW43 3/20 0.54
NCSTN Q92542 3/20 0.54
APH1A Q96BI3 3/20 0.54
PSENEN Q9NZ42 3/20 0.54
BACE1 P56817 3/20 0.53
TRPM8 Q7Z2W7 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
SCHEMBL7270278 0.99 CTSD (0.67) CTSDKLK5PSEN1PSEN2APH1B
SCHEMBL6449655 0.98 CTSD (0.66) CTSDKLK5PSEN1PSEN2APH1B
SCHEMBL15095216 0.97 CTSD (0.67) CTSDKLK5PSEN1PSEN2APH1B
SCHEMBL7430958 0.93 BACE1 (0.61) CTSDKLK5BACE1
SCHEMBL9533710 0.92 CTSD (0.59) CTSDKLK5PSEN1PSEN2APH1B
SCHEMBL7443260 0.92 CTSD (0.59) CTSDKLK5PSEN1PSEN2APH1B
SCHEMBL6449641 0.92 CTSD (0.76) CTSDTRPM8
SCHEMBL6132144 0.92 CTSD (0.76) CTSDTRPM8
SCHEMBL7277449 0.91 CTSL (0.57) CTSDKLK5BACE1
SCHEMBL9237792 0.91 CTSD (0.58) CTSDKLK5PSEN1PSEN2APH1B

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
EP-0839798-B1 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LAB (US) 2005-08-17 EP disclosed
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP disclosed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 WO disclosed
EP-0402646-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 1998-07-22 EP disclosed
EP-0839798-A2 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LABORATORIES (US) 1998-05-06 EP disclosed
US-5670675-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-09-23 US disclosed
US-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed