SCHEMBL28812175

SCHEMBL28812175

CC(C)(C)OC(=O)NN[C@H](C=O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
CTSB P07858 5/20 0.48
CTSK P43235 5/20 0.48
CTSS P25774 2/20 0.48
CTSL P07711 2/20 0.48
ACE P12821 2/20 0.46
CTSH P09668 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
SYK P43405 1/20 0.44
CAPN1 P07384 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL7094 0.86 ATM (0.62) ATMCTSBCTSKCTSSCTSL
SCHEMBL390555 0.86 ATM (0.62) ATMCTSBCTSKCTSSCTSL
SCHEMBL1094506 0.86 ATM (0.62) ATMCTSBCTSKCTSSCTSL
SCHEMBL8539393 0.85 KLK5 (0.52) ATMCTSBCTSKCTSSCTSL
SCHEMBL7348278 0.82 CTSB (0.57) CTSBCTSSCTSLACECA12
SCHEMBL2721558 0.81 ACE (0.60) ATMCTSBCTSKCTSSCTSL
SCHEMBL1691095 0.81 ACE (0.60) ATMCTSBCTSKCTSSCTSL
SCHEMBL2736190 0.80 ATM (0.61) ATMCTSBCTSKCTSSCTSL
SCHEMBL12137049 0.80 ATM (0.61) ATMCTSBCTSKCTSSCTSL
SCHEMBL21791093 0.80 ATM (0.52) ATMCTSBCTSKCTSSCTSL

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
CN-103826661-A Novel binding agent-drug conjugates (ADCs) and uses thereof SEATTLE GENETICS INC 2014-05-28 CN disclosed
CN-103764170-A Novel binder-drug conjugates (ADCs) and their use SEATTLE GENETICS INC 2014-04-30 CN disclosed