Sugi Predict

Sugi Predict / Compounds / SCHEMBL8534831

SCHEMBL8534831

SCHEMBL8534831

CC(C)[C@H](N)C(=O)N[C@H](C(=O)N(C(=O)CCCCCNC(=O)OCc1ccccc1)C(Cc1ccccc1)C(O)C(Cc1ccccc1)N(C(=O)CCCCC(=O)O)C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.46
▸ PTGER4 P35408 3/20 0.43
▸ FOLH1 Q04609 7/20 0.42
▸ CTSD P07339 1/20 0.41
▸ ANPEP P15144 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
SCHEMBL8539750 0.94 CTSD (0.42) HTTFOLH1CTSDANPEP
SCHEMBL7279627 0.92 PTGER4 (0.41) HTTPTGER4FOLH1CTSDANPEP
SCHEMBL8534863 0.88 HTT (0.47) HTTPTGER4FOLH1
SCHEMBL9741444 0.86 CTSD (0.37) FOLH1CTSDANPEP
SCHEMBL8536346 0.86 MMP2 (0.40) CTSD
SCHEMBL8539753 0.82 CTSD (0.39) HTTFOLH1CTSD
SCHEMBL8534869 0.76 CTSD (0.58) HTTPTGER4FOLH1CTSD
SCHEMBL11071402 0.74 HTT (0.59) HTTFOLH1ANPEP
SCHEMBL8536372 0.74 MMP2 (0.46) CTSD
SCHEMBL7279640 0.74 HTT (0.41) HTTPTGER4FOLH1ANPEP

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-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