SCHEMBL7269659

SCHEMBL7269659

CC(C)[C@H](N)C(=O)N(C(=O)OCc1nccs1)C(Cc1ccccc1)C(O)C(Cc1ccccc1)N(C(=O)OCc1nccs1)C(=O)[C@@H](N)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 19/20 0.44
PKM P14618 1/20 0.40

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
SCHEMBL7275895 0.83 PGR (0.47)
SCHEMBL7268569 0.83 ABCB1 (0.44) CYP3A4
SCHEMBL6445021 0.82 PGR (0.46)
SCHEMBL6449059 0.82 PGR (0.46)
SCHEMBL6447678 0.82 PGR (0.46)
SCHEMBL6448984 0.82 ABCB1 (0.43) CYP3A4
SCHEMBL9741196 0.82 ABCB1 (0.43) CYP3A4
SCHEMBL6454316 0.82 ABCB1 (0.43) CYP3A4
SCHEMBL7268965 0.81 CYP3A4 (0.46) CYP3A4
SCHEMBL6449476 0.80 LMNA (0.47) CYP3A4

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
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
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed