SCHEMBL6560431

SCHEMBL6560431

Cc1ccc2oc(C(O)[C@H](C)NC(=O)OCc3ccccc3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
OPRK1 P41145 2/20 0.43
CTSL P07711 2/20 0.43
CTSS P25774 2/20 0.43
MAPT P10636 2/20 0.43
CTSK P43235 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
XDH P47989 1/20 0.41
MAOB P27338 1/20 0.41
TACR1 P25103 1/20 0.41

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 0.92 ATM (0.51) ATMCTSLCTSSCTSKXDH
SCHEMBL8425338 0.89 ATM (0.50) ATMMAPTNPC1RAB9ATACR1
SCHEMBL6560715 0.89 ATM (0.56) ATMCTSLCTSSCTSKTACR1
SCHEMBL6560421 0.81 ATM (0.52) ATMCTSLCTSSCTSKNPC1
SCHEMBL6560698 0.81 ATM (0.52) ATMCTSLCTSSNPC1RAB9A
SCHEMBL6560404 0.79 ATM (0.52) ATMCTSLCTSSTACR1
SCHEMBL9745868 0.78 ATM (0.47) ATMNPC1RAB9AMEN1KMT2A
SCHEMBL9745860 0.78 ATM (0.47) ATMNPC1RAB9AMEN1KMT2A
SCHEMBL8428050 0.78 ATM (0.51) ATMTACR1
SCHEMBL8066082 0.77 TRPM8 (0.47) ATMCTSLCTSSCTSKNPC1

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