SCHEMBL4775169

SCHEMBL4775169

C=C(C)CC(C(=O)O)c1cccc(-c2ccccc2)c1.CC(C)CC(C(=O)O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.56
CTSS P25774 13/20 0.56
CTSL P07711 11/20 0.56
CTSB P07858 8/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42

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
SCHEMBL4129755 0.92 CTSL (0.47) CTSKCTSSCTSLRXRARXRB
SCHEMBL4039064 0.89 CTSK (0.67) CTSKCTSSCTSLCTSBPSEN1
SCHEMBL4310706 0.89 CTSK (0.67) CTSKCTSSCTSLCTSBPSEN1
SCHEMBL4309572 0.89 CTSK (0.67) CTSKCTSSCTSLCTSBPSEN1
SCHEMBL4775180 0.86 CTSK (0.53) CTSKCTSSCTSLCTSB
SCHEMBL8350075 0.82 CTSK (0.65) CTSKCTSSCTSLCTSBRXRA
SCHEMBL7167580 0.79 PTGS2 (0.51) CTSKCTSS
SCHEMBL7463893 0.78 CTSK (0.64) CTSKCTSSCTSLCTSBRXRA
SCHEMBL288779 0.78 CTSK (0.53) CTSKCTSSCTSLCTSBPSEN1
SCHEMBL6620125 0.78 CTSL (0.54) CTSKCTSSCTSLCTSB

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-1940785-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP disclosed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP disclosed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO disclosed