SCHEMBL8612019

SCHEMBL8612019

CC[C@H](C)[C@H](NCc1ccccc1)C(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ATM Q13315 1/20 0.46
CTSS P25774 5/20 0.45
CTSK P43235 4/20 0.45
CA2 P00918 2/20 0.45
KMT2A Q03164 3/20 0.44
SYK P43405 1/20 0.44
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
BACE1 P56817 1/20 0.42
CTSD P07339 1/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL8616194 0.90 CA2 (0.45) ANPEPCA12CA1CA7CA14
SCHEMBL7309512 0.89 CA12 (0.50) CA12CA1CA7CA14ATM
SCHEMBL8617454 0.88 CA2 (0.51) CTSSCTSKCA2KMT2ASYK
SCHEMBL8617778 0.87 CTSS (0.56) ATMCTSSCTSKKMT2ACTSL
SCHEMBL8086793 0.83 KMT2A (0.52) CTSSCTSKCA2KMT2ASYK
SCHEMBL8075350 0.83 KMT2A (0.52) CTSSCTSKCA2KMT2ASYK
SCHEMBL8620934 0.83 CTSD (0.55) ATMCTSSCTSKKMT2ACTSL
SCHEMBL8620133 0.83 CTSS (0.55) ATMCTSSCTSKKMT2ACTSL
SCHEMBL8613804 0.81 CTSS (0.50) ATMCTSSCTSKKMT2ACTSL
SCHEMBL8549092 0.81 CTSS (0.64) ANPEPATMCTSSCTSKCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0838471-A1 PEPTIDE DERIVATIVES AND ANGIOTENSIN IV RECEPTOR AGONIST SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-04-29 EP disclosed