SCHEMBL7328813

SCHEMBL7328813

CCCCCC[C@H](NC(=O)OCc1ccccc1)[C@H](O)CN

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 13/20 0.53
SIRT1 Q96EB6 10/20 0.53
SIRT3 Q9NTG7 7/20 0.52
CTSL P07711 1/20 0.51
CTSS P25774 1/20 0.51
TLR2 O60603 2/20 0.51
MBOAT4 Q96T53 1/20 0.48

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
SCHEMBL7328818 1.00 SIRT2 (0.53) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL5275326 0.86 SIRT2 (0.54) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL10100518 0.83 CTSL (0.58) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL27110953 0.83 CTSL (0.55) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL5492475 0.83 SIRT2 (0.52) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL5268864 0.82 SIRT2 (0.55) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL19519898 0.82 CTSL (0.59) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL7320613 0.81 TRPM8 (0.58) CTSLCTSS
SCHEMBL5889247 0.81 TRPM8 (0.58) CTSLCTSS
SCHEMBL5973119 0.81 CTSL (0.58) SIRT2SIRT1SIRT3CTSLCTSS

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558603-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1998-08-26 EP disclosed
US-5698569-A Retroviral protease inhibitors G. D. SEARLE & CO. (US) 1997-12-16 US disclosed
US-5622949-A AIDS THERAPY G. D. SEARLE & CO. (US) 1997-04-22 US disclosed
US-5620977-A HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 1997-04-15 US disclosed
EP-0558673-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1996-04-17 EP disclosed
US-5475013-A Inhibit human immunodeficiency virus protease MONSANTO COMPANY (US) 1995-12-12 US disclosed
EP-0558603-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558673-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
WO-1992008688-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008699-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed