SCHEMBL7533634

SCHEMBL7533634

CCCCC(=O)NC1CCCN(S(=O)(=O)c2ncccc2C)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.42
CTSL P07711 7/20 0.42
CTSS P25774 7/20 0.42
CTSB P07858 5/20 0.41
CTSV O60911 1/20 0.40
ADRB2 P07550 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CCR2 P41597 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL7426104 0.85 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7533624 0.85 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7538681 0.83 ATM (0.49) ADRB2KMT2AGAAALDH1A1LMNA
SCHEMBL5096358 0.80 CTSK (0.53) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7428439 0.79 MEN1 (0.48) KMT2AGAAALDH1A1MAPT
SCHEMBL5096354 0.78 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7429565 0.74 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4686330 0.73 CTSK (0.60) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4832039 0.73 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6403850 0.72 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV

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-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP claimed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP claimed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO claimed