SCHEMBL6447683

SCHEMBL6447683

CC(C)[C@H](N)C(=O)N(C(=O)OCc1cccnc1)[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
CYP3A4 P08684 2/20 0.43
SLC1A5 Q15758 1/20 0.38
ABCB1 P08183 1/20 0.38
TBXAS1 P24557 2/20 0.38
SLC15A1 P46059 1/20 0.37
NAMPT P43490 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LTA4H P09960 2/20 0.36
LAP3 P28838 1/20 0.36
GPR132 Q9UNW8 1/20 0.36
AOC3 Q16853 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL9742860 1.00 LMNA (0.44) LMNACYP3A4SLC1A5ABCB1TBXAS1
SCHEMBL6448340 0.96 LMNA (0.47) LMNACYP3A4SLC1A5ABCB1TBXAS1
SCHEMBL6449476 0.96 LMNA (0.47) LMNACYP3A4SLC1A5ABCB1TBXAS1
SCHEMBL9741503 0.96 LMNA (0.47) LMNACYP3A4SLC1A5ABCB1TBXAS1
SCHEMBL6446316 0.96 LMNA (0.47) LMNACYP3A4SLC1A5ABCB1TBXAS1
SCHEMBL7268965 0.95 CYP3A4 (0.46) LMNACYP3A4SLC1A5ABCB1TBXAS1
SCHEMBL6448984 0.86 ABCB1 (0.43) LMNACYP3A4ABCB1SLC15A1LTA4H
SCHEMBL6454316 0.86 ABCB1 (0.43) LMNACYP3A4ABCB1SLC15A1LTA4H
SCHEMBL9741196 0.86 ABCB1 (0.43) LMNACYP3A4ABCB1SLC15A1LTA4H
SCHEMBL7268569 0.85 ABCB1 (0.44) LMNACYP3A4ABCB1SLC15A1LTA4H

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-0839798-B1 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LAB (US) 2005-08-17 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
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed