SCHEMBL10118846

SCHEMBL10118846

CC(C)[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1cccc(F)c1)NC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.51
CTSB P07858 7/20 0.47
CTSS P25774 4/20 0.46
CTSK P43235 4/20 0.46
CTSV O60911 1/20 0.46
PSMB5 P28074 2/20 0.46
KMT2A Q03164 1/20 0.46
GPR139 Q6DWJ6 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
SCHEMBL10118993 1.00 CTSL (0.51) CTSLCTSBCTSSCTSKCTSV
SCHEMBL10118862 0.90 PSMB5 (0.56) CTSLCTSBCTSSCTSKPSMB5
SCHEMBL10118970 0.90 PSMB5 (0.56) CTSLCTSBCTSSCTSKPSMB5
SCHEMBL10118859 0.89 CTSL (0.51) CTSLCTSBCTSSCTSKPSMB5
SCHEMBL10118850 0.88 CTSB (0.44) CTSLCTSBCTSSCTSKCTSV
SCHEMBL10118852 0.88 CTSB (0.44) CTSLCTSBCTSSCTSKCTSV
SCHEMBL12516874 0.85 CTSL (0.55) CTSLCTSBCTSSCTSKCTSV
SCHEMBL10118844 0.85 CTSL (0.55) CTSLCTSBCTSSCTSKPSMB5
SCHEMBL10118845 0.85 CTSB (0.52) CTSLCTSBCTSSCTSKPSMB5
SCHEMBL10118851 0.85 CTSB (0.52) CTSLCTSBCTSSCTSKPSMB5

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