SCHEMBL10118965

SCHEMBL10118965

CC(C)[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
ECE1 P42892 1/20 0.51
CTSL P07711 4/20 0.48
CTSB P07858 3/20 0.48
CTSS P25774 2/20 0.48
CTSV O60911 1/20 0.48
CTRC Q99895 1/20 0.48
GRIA1 P42261 1/20 0.47
PSMB5 P28074 2/20 0.46
GPR132 Q9UNW8 4/20 0.46
CMKLR2 P46091 1/20 0.46
CMKLR1 Q99788 1/20 0.46
CTSK P43235 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45

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
SCHEMBL10118994 0.94 CTSB (0.51) LMNACTSLCTSBCTSSCTSV
SCHEMBL10118970 0.90 PSMB5 (0.56) CTSLCTSBCTSSCTRCPSMB5
SCHEMBL10118862 0.90 PSMB5 (0.56) CTSLCTSBCTSSCTRCPSMB5
SCHEMBL10118869 0.89 PSMB5 (0.48) CTSLCTSBCTSSCTSVPSMB5
SCHEMBL10118968 0.89 CTSL (0.50) CTSLCTSBCTSSCTSVPSMB5
SCHEMBL10118873 0.85 PSMB5 (0.62) CTSLPSMB5
SCHEMBL10118845 0.85 CTSB (0.52) CTSLCTSBCTSSPSMB5CTSK
SCHEMBL10118811 0.85 CTSB (0.57) CTSLCTSBCTSSPSMB5CTSK
SCHEMBL10118851 0.85 CTSB (0.52) CTSLCTSBCTSSPSMB5CTSK
SCHEMBL10118859 0.83 CTSL (0.51) CTSLCTSBCTSSPSMB5CTSK

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