SCHEMBL7206790

SCHEMBL7206790

CC(C)COC[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.76
CAPN1 P07384 14/20 0.53
CTSB P07858 3/20 0.53
CAPN9 O14815 2/20 0.53
MAPK1 P28482 2/20 0.53
CTSL P07711 3/20 0.45
LMNA P02545 2/20 0.45
CTSH P09668 1/20 0.45
CTSS P25774 1/20 0.45
CTSC P53634 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.45
BLM P54132 1/20 0.45
CTSG P08311 1/20 0.40

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
SCHEMBL6735420 1.00 CTSK (0.76) CTSKCAPN1CTSBCAPN9MAPK1
SCHEMBL913603 1.00 CTSK (0.76) CTSKCAPN1CTSBCAPN9MAPK1
SCHEMBL913547 0.99 CTSK (0.74) CTSKCAPN1CTSBCAPN9MAPK1
SCHEMBL2730672 0.99 CTSK (0.74) CTSKCAPN1CTSBCAPN9MAPK1
SCHEMBL6742223 0.88 CTSK (0.60) CTSKCAPN1CTSBCAPN9MAPK1
SCHEMBL6742229 0.88 CTSK (0.60) CTSKCAPN1CTSBCAPN9MAPK1
SCHEMBL6738598 0.87 CTSK (0.58) CTSKCAPN1CTSBCAPN9MAPK1
SCHEMBL6738594 0.87 CTSK (0.58) CTSKCAPN1CTSBCAPN9MAPK1
Potassium Ion SCHEMBL913496 0.86 CTSK (0.95) CTSKCAPN1CTSBCAPN9MAPK1
SCHEMBL913738 0.86 CTSK (1.00) CTSKCAPN1CTSBCAPN9MAPK1

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-1022276-B1 EPOXYSUCCINAMIDE DERIVATIVES NIPPON CHEMIPHAR CO (JP) 2003-05-28 EP disclosed
US-6387908-B1 BONE DISORDERS; ANTIARTHRITIC AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 2002-05-14 US disclosed
EP-1022276-A1 EPOXYSUCCINAMIDE DERIVATIVES NIPPON CHEMIPHAR CO., LTD. (JP) 2000-07-26 EP disclosed