SCHEMBL7423583

SCHEMBL7423583

[CH2]C[C@H](C)CC(=O)NC1CCCN(S(=O)(=O)c2ccccn2)CC1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.42
CTSL P07711 6/20 0.42
CTSS P25774 6/20 0.42
CTSB P07858 4/20 0.40
CTSV O60911 1/20 0.40
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
CCR6 P51684 1/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 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
SCHEMBL6590701 0.90 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4685652 0.86 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6764445 0.83 CTSK (0.37) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7422161 0.82 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4685650 0.81 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6703554 0.81 ALDH1A1 (0.44) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL5971807 0.80 CTSK (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4686499 0.80 CTSK (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5098822 0.80 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5105257 0.80 CTSK (0.41) 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 disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed