SCHEMBL6619802

SCHEMBL6619802

CC(C)CC(C(=O)O)c1cccc(-c2ccccn2)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.72
CTSL P07711 7/20 0.72
CTSS P25774 8/20 0.50
CTSB P07858 2/20 0.47
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
KAT6A Q92794 1/20 0.42
FFAR1 O14842 1/20 0.41
CNR1 P21554 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
SCHEMBL4713680 0.84 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL6622519 0.83 CTSK (0.61) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL4309572 0.83 CTSK (0.67) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL4310706 0.83 CTSK (0.67) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL4039064 0.83 CTSK (0.67) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL6620125 0.82 CTSL (0.54) CTSKCTSLCTSSCTSBKAT6A
SCHEMBL6620554 0.82 CTSL (0.56) CTSKCTSLPSEN1PSEN2APH1B
SCHEMBL7391778 0.78 CTSK (0.71) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL6621742 0.76 CTSK (0.52) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL9261215 0.76 CTSK (0.50) CTSKCTSLCTSSCNR1

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-1067894-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 EP disclosed
US-6518267-B1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-02-11 US disclosed
EP-1067894-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-01-17 EP disclosed
WO-1999059526-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 WO disclosed