SCHEMBL10119266

SCHEMBL10119266

CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@H](C=O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 2/20 0.53
▸ CTSL P07711 7/20 0.52
▸ CTSS P25774 2/20 0.52
▸ CTSK P43235 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ HDAC3 O15379 2/20 0.50
▸ HDAC4 P56524 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ CTSB P07858 1/20 0.47
▸ BACE1 P56817 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ GPR139 Q6DWJ6 1/20 0.46
▸ KMT2A Q03164 1/20 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
SCHEMBL10118862 0.88 PSMB5 (0.56) PSMB5CTSLCTSSCTSKL3MBTL1
SCHEMBL10118970 0.88 PSMB5 (0.56) PSMB5CTSLCTSSCTSKL3MBTL1
SCHEMBL10119206 0.84 CTSL (0.61) PSMB5CTSLCTSSCTSKL3MBTL1
SCHEMBL10118811 0.83 CTSB (0.57) PSMB5CTSLCTSSCTSKL3MBTL1
SCHEMBL10118845 0.83 CTSB (0.52) PSMB5CTSLCTSSCTSKL3MBTL1
SCHEMBL10118851 0.83 CTSB (0.52) PSMB5CTSLCTSSCTSKL3MBTL1
SCHEMBL10118849 0.81 HPGD (0.56) PSMB5CTSLCTSBHPGDKMT2A
SCHEMBL10118869 0.81 PSMB5 (0.48) PSMB5CTSLCTSSCTSKCTSB
SCHEMBL10118968 0.81 CTSL (0.50) PSMB5CTSLCTSSCTSKCTSB
SCHEMBL10118859 0.81 CTSL (0.51) PSMB5CTSLCTSSCTSKCTSB

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
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