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SCHEMBL7531501

SCHEMBL7531501

CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2cccc(C(F)(F)F)c2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 17/20 1.00
▸ CTSL P07711 15/20 1.00
▸ CTSB P07858 14/20 1.00
▸ CTSK P43235 14/20 1.00
▸ USP2 O75604 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MME P08473 1/20 0.38

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
SCHEMBL7569060 0.93 CTSS (1.00) CTSSCTSLCTSBCTSKMME
SCHEMBL7529726 0.92 CTSS (1.00) CTSSCTSLCTSBCTSKUSP2
SCHEMBL7537053 0.89 CTSS (1.00) CTSSCTSLCTSBCTSKMME
SCHEMBL7534190 0.87 CTSK (0.91) CTSSCTSLCTSBCTSKMME
SCHEMBL7533075 0.84 CTSL (1.00) CTSSCTSLCTSBCTSK
SCHEMBL7526718 0.83 CTSL (0.88) CTSSCTSLCTSBCTSKMME
SCHEMBL7528445 0.80 CTSS (0.74) CTSSCTSLCTSBCTSKMME
SCHEMBL7530137 0.75 CTSS (0.62) CTSSCTSLCTSBCTSKMME
SCHEMBL7530898 0.74 CTSS (0.65) CTSSCTSLCTSBCTSK
SCHEMBL7530008 0.72 CTSK (0.63) CTSSCTSLCTSBCTSKSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 — — WO claimed
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 — — WO disclosed