SCHEMBL5262273

SCHEMBL5262273

CCCCOC(=O)NC(Cc1cc(F)cc(F)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.44
ITGA2B P08514 9/20 0.44
ITGB1 P05556 2/20 0.44
ITGA4 P13612 2/20 0.44
ACE P12821 2/20 0.42
ACE2 Q9BYF1 2/20 0.42
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
ITGAV P06756 1/20 0.41

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
SCHEMBL5085119 0.88 CTSK (0.50) ITGB3ITGA2BACEACE2CTSK
SCHEMBL3663289 0.87 ACE (0.51) ITGB3ITGA2BITGB1ITGA4ACE
SCHEMBL16680262 0.84 ACE (0.51) ITGB3ITGA2BITGB1ITGA4ACE
SCHEMBL7758997 0.83 ITGB3 (0.58) ITGB3ITGA2BITGB1ITGA4ACE
SCHEMBL844471 0.83 ITGB3 (0.58) ITGB3ITGA2BITGB1ITGA4ACE
SCHEMBL2185240 0.83 ITGB3 (0.58) ITGB3ITGA2BITGB1ITGA4ACE
SCHEMBL17578028 0.82 CTSS (0.42) ITGB1ITGA4CTSKCTSLCTSS
SCHEMBL5198519 0.81 ALDH1A1 (0.45) ITGB3ITGA2BITGB1ITGA4ACE
SCHEMBL17578191 0.81 CYP1A2 (0.39) ITGB1ITGA4ACEACE2
SCHEMBL16679848 0.81 ITGB3 (0.47) ITGB3ITGA2BITGB1ITGA4ACE

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-3619205-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2020-03-11 EP disclosed
WO-2018203235-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-11-08 WO disclosed
EP-1789388-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING SUBSTITUTED ETHANOLCYCLICAMINE ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals, Inc. (US) 2007-05-30 EP disclosed
WO-2006026532-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING SUBSTITUTED ETHANOLCYCLICAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-03-09 WO disclosed