SCHEMBL8575445

SCHEMBL8575445

CC(C)CC(NC(=O)C(C)Nc1ccccc1C(=O)CNC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)NCC(=O)NCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.50
CTSL P07711 3/20 0.50
CTSK P43235 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
CA5A P35218 1/20 0.42
MMP8 P22894 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
PSMB1 P20618 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB9 P28065 1/20 0.40
PSMB5 P28074 1/20 0.40
PSMB10 P40306 1/20 0.40
PSMB2 P49721 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL8575598 0.84 CTSS (0.55) CTSSCTSLCTSKSMN1; SMN2CA5A
SCHEMBL8575593 0.84 CTSS (0.55) CTSSCTSLCTSKSMN1; SMN2CA5A
SCHEMBL8575447 0.81 CTSS (0.53) CTSSCTSLCTSKSMN1; SMN2CA5A
Hydrochloric Acid SCHEMBL8571569 0.77 OPRD1 (0.52) CTSSCTSLCTSKCA5APSMB1
Hydrochloric Acid SCHEMBL8573389 0.77 OPRD1 (0.52) CTSSCTSLCTSKCA5APSMB1
SCHEMBL8573218 0.74 MMP8 (0.56) MMP8
SCHEMBL8572721 0.74 MMP8 (0.56) MMP8
SCHEMBL8574999 0.74 CDYL2 (0.46) CTSSCTSLCTSKPSMB1PSMB8
SCHEMBL8574997 0.74 CDYL2 (0.46) CTSSCTSLCTSKPSMB1PSMB8
SCHEMBL8571238 0.74 PSMB1 (0.61) CTSSCTSKPSMB1PSMB8PSMB9

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