SCHEMBL10118970

SCHEMBL10118970

CC(C)[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.56
CTSL P07711 5/20 0.55
CTSS P25774 2/20 0.55
CTSK P43235 2/20 0.55
CTSB P07858 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.49
BACE1 P56817 1/20 0.48
GPR139 Q6DWJ6 1/20 0.48
CTRC Q99895 1/20 0.47

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
SCHEMBL10118862 1.00 PSMB5 (0.56) PSMB5CTSLCTSSCTSKCTSB
SCHEMBL10118851 0.94 CTSB (0.52) PSMB5CTSLCTSSCTSKCTSB
SCHEMBL10118811 0.94 CTSB (0.57) PSMB5CTSLCTSSCTSKCTSB
SCHEMBL10118845 0.94 CTSB (0.52) PSMB5CTSLCTSSCTSKCTSB
SCHEMBL10118869 0.92 PSMB5 (0.48) PSMB5CTSLCTSSCTSKCTSB
SCHEMBL10118968 0.92 CTSL (0.50) PSMB5CTSLCTSSCTSKCTSB
SCHEMBL10118859 0.92 CTSL (0.51) PSMB5CTSLCTSSCTSKCTSB
SCHEMBL10118965 0.90 LMNA (0.53) PSMB5CTSLCTSSCTSKCTSB
SCHEMBL10118994 0.90 CTSB (0.51) PSMB5CTSLCTSSCTSKCTSB
SCHEMBL10118846 0.90 CTSL (0.51) PSMB5CTSLCTSSCTSKCTSB

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
WO-2012004554-A1 ALDEHYDE COMPOUNDS AS INHIBITORS OF DUST MITE GROUP 1 PEPTIDASE ALLERGEN AND THEIR USE ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) 2012-01-12 WO disclosed