SCHEMBL10119214

SCHEMBL10119214

C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccncc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 6/20 0.61
▸ CTSS P25774 6/20 0.61
▸ CTSB P07858 3/20 0.61
▸ CTSK P43235 1/20 0.56
▸ GRN P28799 1/20 0.50
▸ SORT1 Q99523 1/20 0.50
▸ PSMB11 A5LHX3 1/20 0.48
▸ PSMA7 O14818 1/20 0.48
▸ PSMB1 P20618 1/20 0.48
▸ PSMA1 P25786 1/20 0.48
▸ PSMA2 P25787 1/20 0.48
▸ PSMA3 P25788 1/20 0.48
▸ PSMA4 P25789 1/20 0.48
▸ PSMB8 P28062 1/20 0.48
▸ PSMB9 P28065 1/20 0.48
▸ PSMA5 P28066 1/20 0.48
▸ PSMB4 P28070 1/20 0.48
▸ PSMB6 P28072 1/20 0.48
▸ PSMB5 P28074 1/20 0.48
▸ LONP1 P36776 1/20 0.48

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
SCHEMBL10119265 0.90 CTSS (0.69) CTSLCTSSCTSBCTSKGRN
SCHEMBL10118973 0.86 CTSS (0.62) CTSLCTSSCTSBCTSKGRN
SCHEMBL10118853 0.84 CTSL (0.55) CTSLCTSSCTSBCTSKGRN
SCHEMBL5528491 0.83 CTSL (0.81) CTSLCTSSCTSBCTSKCHRNB2
SCHEMBL10118950 0.76 PSMB5 (0.56) CTSLCTSSCTSBCTSKPSMB5
SCHEMBL14297659 0.76 PSMB5 (0.56) CTSLCTSSCTSBCTSKPSMB5
SCHEMBL5528488 0.76 CTSL (0.62) CTSLCTSSCTSBCTSKGRN
SCHEMBL5131090 0.75 CA2 (0.57) —
SCHEMBL2917517 0.75 CA2 (0.57) —
SCHEMBL2917519 0.75 CA2 (0.57) —

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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