SCHEMBL8575447

SCHEMBL8575447

CC(C)C[C@H](NC(=O)[C@H](C)N(C(=O)CNC(=O)c1ccc(OCc2ccccc2)cc1)c1ccccc1)C(=O)NCC(=O)NCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.53
CTSL P07711 4/20 0.53
CTSK P43235 6/20 0.52
MMP8 P22894 3/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ANPEP P15144 1/20 0.43
CA5A P35218 1/20 0.43
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
PSMB5 P28074 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL8575593 0.85 CTSS (0.55) CTSSCTSLCTSKMMP8NPC1
SCHEMBL8575598 0.85 CTSS (0.55) CTSSCTSLCTSKMMP8NPC1
SCHEMBL8575445 0.81 CTSS (0.50) CTSSCTSLCTSKMMP8NPC1
Hydrochloric Acid SCHEMBL8571569 0.80 OPRD1 (0.52) CTSSCTSLCTSKCA5APSMB5
Hydrochloric Acid SCHEMBL8573389 0.80 OPRD1 (0.52) CTSSCTSLCTSKCA5APSMB5
SCHEMBL9829010 0.76 CTSL (0.51) CTSSCTSLCTSK
SCHEMBL8573218 0.76 MMP8 (0.56) MMP8
SCHEMBL8572721 0.76 MMP8 (0.56) MMP8
SCHEMBL8574999 0.75 CDYL2 (0.46) CTSSCTSLCTSKPSMB5
SCHEMBL8574997 0.75 CDYL2 (0.46) CTSSCTSLCTSKPSMB5

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
US-5853713-A Biologically compatible linear block copolymers of polyalkylene oxide and peptide units STERLING WINTHROP INC. (US) 1998-12-29 US disclosed