SCHEMBL6560715

SCHEMBL6560715

C[C@H](NC(=O)OCc1ccccc1)C(O)c1nc2ccccc2o1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
TOP2A P11388 2/20 0.47
TOP2B Q02880 2/20 0.47
TACR1 P25103 1/20 0.44
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
ELANE P08246 2/20 0.44
CTSK P43235 2/20 0.43

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
SCHEMBL6558452 0.89 ATM (0.51) ATMCTSLCTSSCTSK
SCHEMBL6560431 0.89 ATM (0.51) ATMTACR1CTSLCTSSCTSK
SCHEMBL8425338 0.88 ATM (0.50) ATMTOP2ATOP2BTACR1ELANE
SCHEMBL12221562 0.87 ATM (0.51) ATMTOP2ATOP2BTACR1
SCHEMBL8066055 0.86 ATM (0.49) ATMTACR1
SCHEMBL8143055 0.86 ATM (0.49) ATMTACR1
SCHEMBL6560404 0.85 ATM (0.52) ATMTACR1CTSLCTSSELANE
SCHEMBL6560698 0.85 ATM (0.52) ATMTOP2ATOP2BTACR1CTSL
SCHEMBL6560421 0.85 ATM (0.52) ATMTACR1CTSLCTSSELANE
SCHEMBL2802686 0.85 ATM (0.48) ATMTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948523-B1 PEPTIDOMIMETIC INHIBITORS OF THE HUMAN CYTOMEGALOVIRUS PROTEASE BOEHRINGER INGELHEIM CA LTD (CA) 2004-03-17 EP disclosed
US-6291640-B1 OLIGOPEPTIDES; SOLID PHASE SYNTHESIS BOEHRINGER INGELHEIM LTD. (CA) 2001-09-18 US disclosed