SCHEMBL7514439

SCHEMBL7514439

CC(C)CC(C(=O)N1CCC=CC(N)C(O)C1S(=O)(=O)c1ccccn1)c1cccc(-c2ccccc2)c1.CC(C)CC(C(=O)N1CCCCC(N)C(O)C1S(=O)(=O)c1ccccn1)c1cccc(-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.43
CTSL P07711 10/20 0.35
CTSS P25774 12/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CTSB P07858 7/20 0.33
CTSV O60911 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
ITGB5 P18084 1/20 0.31

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
SCHEMBL7508575 0.94 CTSK (0.47) CTSKCTSLCTSSKDM4EALDH1A1
SCHEMBL7445866 0.94 CTSK (0.47) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL7448783 0.80 CTSK (0.47) CTSKCTSLCTSSKDM4EALDH1A1
SCHEMBL7456169 0.80 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7445830 0.78 HRH1 (0.35) CTSKCTSLCTSSKDM4EALDH1A1
SCHEMBL7449707 0.73 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7453958 0.72 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7450638 0.71 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7453382 0.71 TAS1R3 (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7453377 0.71 CTSK (0.42) CTSKCTSLCTSSKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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