SCHEMBL27475409

SCHEMBL27475409

CC(C)C[C@@H]([C]=O)NC(=O)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 1/20 0.61
▸ PSMB5 P28074 1/20 0.61
▸ POLB P06746 2/20 0.54
▸ CNR2 P34972 7/20 0.52
▸ CTSL P07711 1/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ HPGD P15428 2/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ MAPT P10636 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
SCHEMBL5803644 0.81 CNR2 (0.54) PSMB8PSMB5POLBCNR2KMT2A
SCHEMBL10827301 0.81 SMN1; SMN2 (0.52) PSMB5KMT2AMEN1ALDH1A1KDM4E
SCHEMBL27478057 0.81 POLB (0.59) PSMB8PSMB5POLBCNR2KMT2A
SCHEMBL10542964 0.81 POLB (0.59) PSMB8PSMB5POLBCNR2KMT2A
SCHEMBL21724154 0.79 CNR2 (0.51) PSMB8PSMB5POLBCNR2KMT2A
SCHEMBL4660369 0.78 CTSK (0.61) CTSL
SCHEMBL2147583 0.78 CTSK (0.61) CTSL
SCHEMBL3959352 0.78 CTSK (0.61) CTSL
SCHEMBL7294138 0.78 POLB (0.56) PSMB8PSMB5POLBCNR2KMT2A
SCHEMBL2368096 0.78 PSMB8 (0.64) PSMB8PSMB5POLBCNR2CTSL

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
CN-1177293-A Method for inhibiting cathepsin K SMITHKLINE BEECHAM CORP (US) 1998-03-25 — — CN disclosed
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