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SCHEMBL7537053

SCHEMBL7537053

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 16/20 1.00
▸ CTSL P07711 14/20 1.00
▸ CTSB P07858 14/20 1.00
▸ CTSK P43235 14/20 1.00
▸ MME P08473 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ ADCY1 Q08828 1/20 0.39

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 0.95 CTSS (1.00) CTSSCTSLCTSBCTSKMME
SCHEMBL7529726 0.93 CTSS (1.00) CTSSCTSLCTSBCTSKMME
SCHEMBL7534190 0.90 CTSK (0.91) CTSSCTSLCTSBCTSKMME
SCHEMBL7531501 0.89 CTSS (1.00) CTSSCTSLCTSBCTSKMME
SCHEMBL7533075 0.87 CTSL (1.00) CTSSCTSLCTSBCTSK
SCHEMBL7526718 0.86 CTSL (0.88) CTSSCTSLCTSBCTSKMME
SCHEMBL7528445 0.81 CTSS (0.74) CTSSCTSLCTSBCTSKMME
SCHEMBL7647908 0.81 CTSL (0.68) CTSSCTSLCTSBCTSK
SCHEMBL7560369 0.81 CTSS (0.67) CTSSCTSLCTSBCTSK
SCHEMBL7647901 0.79 CTSL (0.65) CTSSCTSLCTSBCTSKKDM4E

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