SCHEMBL10119263

SCHEMBL10119263

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

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.60
CTSK P43235 2/20 0.60
CTSB P07858 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MME P08473 5/20 0.58
PSMB5 P28074 2/20 0.58
ANPEP P15144 2/20 0.58
CTSL P07711 3/20 0.57
ACE P12821 1/20 0.56
CPA1 P15085 1/20 0.56
ACE2 Q9BYF1 1/20 0.56

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
SCHEMBL14297648 1.00 CTSS (0.60) CTSSCTSKCTSBL3MBTL1MME
SCHEMBL10118946 0.95 CTSS (0.67) CTSSCTSKCTSBL3MBTL1MME
SCHEMBL7318555 0.93 PSMB5 (0.65) CTSSCTSKCTSBL3MBTL1MME
SCHEMBL10119250 0.93 PSMB5 (0.65) CTSSCTSKCTSBL3MBTL1MME
SCHEMBL16375200 0.91 MME (0.53) CTSSCTSKCTSBL3MBTL1MME
SCHEMBL10118961 0.90 USP30 (0.56) CTSSCTSKCTSBPSMB5CTSL
SCHEMBL10119270 0.90 PSMB5 (0.56) CTSSCTSKCTSBPSMB5CTSL
SCHEMBL7315389 0.88 PSMB5 (0.60) CTSSCTSKCTSBL3MBTL1MME
SCHEMBL17994239 0.88 MME (0.49) CTSSCTSKCTSBL3MBTL1MME
SCHEMBL12516880 0.87 PSMB5 (0.56) CTSSCTSKCTSBL3MBTL1PSMB5

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