SCHEMBL10118869

SCHEMBL10118869

CC(C)[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccncc1)NC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.48
CTSL P07711 8/20 0.48
CTSS P25774 3/20 0.48
CTSV O60911 1/20 0.48
CTSK P43235 2/20 0.47
CTSB P07858 4/20 0.47
GPR132 Q9UNW8 1/20 0.45
KMT2A Q03164 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
SCHEMBL10118968 0.96 CTSL (0.50) PSMB5CTSLCTSSCTSVCTSK
SCHEMBL10118970 0.92 PSMB5 (0.56) PSMB5CTSLCTSSCTSKCTSB
SCHEMBL10118862 0.92 PSMB5 (0.56) PSMB5CTSLCTSSCTSKCTSB
SCHEMBL10118845 0.89 CTSB (0.52) PSMB5CTSLCTSSCTSKCTSB
SCHEMBL10118851 0.89 CTSB (0.52) PSMB5CTSLCTSSCTSKCTSB
SCHEMBL10118994 0.89 CTSB (0.51) PSMB5CTSLCTSSCTSVCTSK
SCHEMBL10118965 0.89 LMNA (0.53) PSMB5CTSLCTSSCTSVCTSK
SCHEMBL10118859 0.88 CTSL (0.51) PSMB5CTSLCTSSCTSKCTSB
SCHEMBL10118811 0.87 CTSB (0.57) PSMB5CTSLCTSSCTSKCTSB
SCHEMBL12516880 0.84 PSMB5 (0.56) PSMB5CTSLCTSSCTSVCTSK

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