SCHEMBL7337807

SCHEMBL7337807

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)C1CNCC1O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.57
CTSS P25774 5/20 0.57
CTSL P07711 4/20 0.57
CTSB P07858 3/20 0.57
CASP1 P29466 1/20 0.53
CASP3 P42574 1/20 0.53
CASP7 P55210 1/20 0.53
CASP6 P55212 1/20 0.53
CASP8 Q14790 1/20 0.53
CAPN1 P07384 1/20 0.51
CAPN2 P17655 1/20 0.51

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
Hydrochloric Acid SCHEMBL7348635 0.99 CTSK (0.56) CTSKCTSSCTSLCTSBCASP1
Hydrochloric Acid SCHEMBL7337310 0.89 CTSK (0.47) CTSKCTSSCTSLCTSBCASP1
Hydrochloric Acid SCHEMBL6580714 0.82 CTSK (0.67) CTSKCTSSCTSLCTSB
SCHEMBL7346145 0.81 CTSK (0.73) CTSKCTSSCTSLCTSB
SCHEMBL4689601 0.78 CTSK (0.66) CTSKCTSSCTSLCTSB
Hydrochloric Acid SCHEMBL6580331 0.78 CTSK (0.66) CTSKCTSSCTSLCTSB
SCHEMBL4689606 0.78 CTSK (0.66) CTSKCTSSCTSLCTSB
SCHEMBL1823902 0.78 CTSK (0.76) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL16272916 0.78 CTSK (0.76) CTSKCTSSCTSLCTSB
SCHEMBL222158 0.78 CTSK (0.76) CTSKCTSSCTSLCTSBCAPN1

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-0804180-A4 METHOD OF INHIBITING CATHEPSIN K SMITHKLINE BEECHAM CORP (US) 2001-09-05 EP disclosed
EP-0804180-A1 METHOD OF INHIBITING CATHEPSIN K SMITHKLINE BEECHAM CORPORATION (US) 1997-11-05 EP disclosed
WO-1997016177-A9 METHOD OF INHIBITING CATHEPSIN K 1997-07-24 WO disclosed
WO-1997016177-A1 METHOD OF INHIBITING CATHEPSIN K SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 WO disclosed