SCHEMBL10118850

SCHEMBL10118850

CC(C)[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(F)c(F)c1)NC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSB P07858 6/20 0.44
CTSL P07711 5/20 0.44
CTSS P25774 3/20 0.44
CTSK P43235 3/20 0.44
CTSV O60911 1/20 0.44
PSMB5 P28074 3/20 0.44
PSMB1 P20618 1/20 0.43
PSMB2 P49721 1/20 0.43
KLKB1 P03952 1/20 0.43
PIN1 Q13526 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
CDC25B P30305 1/20 0.41

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
SCHEMBL10118852 1.00 CTSB (0.44) CTSBCTSLCTSSCTSKCTSV
SCHEMBL10118859 0.89 CTSL (0.51) CTSBCTSLCTSSCTSKPSMB5
SCHEMBL10118846 0.88 CTSL (0.51) CTSBCTSLCTSSCTSKCTSV
SCHEMBL10118993 0.88 CTSL (0.51) CTSBCTSLCTSSCTSKCTSV
SCHEMBL10118970 0.88 PSMB5 (0.56) CTSBCTSLCTSSCTSKPSMB5
SCHEMBL10118862 0.88 PSMB5 (0.56) CTSBCTSLCTSSCTSKPSMB5
SCHEMBL10118844 0.87 CTSL (0.55) CTSBCTSLCTSSCTSKPSMB5
SCHEMBL10118845 0.87 CTSB (0.52) CTSBCTSLCTSSCTSKPSMB5
SCHEMBL10118851 0.87 CTSB (0.52) CTSBCTSLCTSSCTSKPSMB5
SCHEMBL10118963 0.85 CTSL (0.50) CTSBCTSLCTSSCTSKCTSV

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