SCHEMBL10118845

SCHEMBL10118845

CC(C)[C@@H](C=O)NC(=O)[C@H](C)NC(=O)C(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSB P07858 7/20 0.52
CTSS P25774 4/20 0.52
CTSK P43235 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PSMB5 P28074 2/20 0.50
CTSL P07711 6/20 0.49
MME P08473 2/20 0.46
ACE P12821 2/20 0.46
CPA1 P15085 2/20 0.46
ACE2 Q9BYF1 2/20 0.46

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
SCHEMBL10118851 1.00 CTSB (0.52) CTSBCTSSCTSKL3MBTL1PSMB5
SCHEMBL10118811 0.96 CTSB (0.57) CTSBCTSSCTSKL3MBTL1PSMB5
SCHEMBL10118862 0.94 PSMB5 (0.56) CTSBCTSSCTSKL3MBTL1PSMB5
SCHEMBL10118970 0.94 PSMB5 (0.56) CTSBCTSSCTSKL3MBTL1PSMB5
SCHEMBL10118859 0.92 CTSL (0.51) CTSBCTSSCTSKPSMB5CTSL
SCHEMBL10118869 0.89 PSMB5 (0.48) CTSBCTSSCTSKPSMB5CTSL
SCHEMBL10118844 0.88 CTSL (0.55) CTSBCTSSCTSKPSMB5CTSL
SCHEMBL10118968 0.87 CTSL (0.50) CTSBCTSSCTSKPSMB5CTSL
SCHEMBL10118852 0.87 CTSB (0.44) CTSBCTSSCTSKPSMB5CTSL
SCHEMBL10118850 0.87 CTSB (0.44) CTSBCTSSCTSKPSMB5CTSL

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