SCHEMBL7448783

SCHEMBL7448783

CC(C)CC(C(=O)N1CCCCC(N)C(=O)C1S(=O)(=O)c1ccccn1)c1cccc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.47
CTSL P07711 13/20 0.38
CTSS P25774 14/20 0.37
CTSB P07858 9/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CTSV O60911 1/20 0.35

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
SCHEMBL7456169 0.86 CTSK (0.47) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL7508575 0.85 CTSK (0.47) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL7514439 0.80 CTSK (0.43) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL7445866 0.78 CTSK (0.47) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL7451430 0.77 TAS1R3 (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7454549 0.77 CTSK (0.58) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042265 0.76 CTSK (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7445945 0.76 CTSK (0.56) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL7451425 0.75 CTSK (0.43) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL7454547 0.74 CTSK (0.43) CTSKCTSLCTSSCTSBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002533452-A 2002-10-08 JP claimed
EP-1140897-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-04-03 EP claimed
EP-1140897-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-10-10 EP claimed
WO-2000039115-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO claimed
EP-1140897-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-04-03 EP disclosed
EP-1140897-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-10-10 EP disclosed
WO-2000039115-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed