SCHEMBL7530384

SCHEMBL7530384

CC(C)C[C@H](NC(=O)C1(NC(=O)c2ccc(C(C)(C)C)cc2)CCCCC1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.47
CTSB P07858 13/20 0.47
CTSS P25774 13/20 0.47
CTSK P43235 13/20 0.47
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
TACR2 P21452 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
FAAH O00519 1/20 0.38
PSMB11 A5LHX3 1/20 0.38
PSMA7 O14818 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMA1 P25786 1/20 0.38
PSMA2 P25787 1/20 0.38
PSMA3 P25788 1/20 0.38
PSMA4 P25789 1/20 0.38
PSMB8 P28062 1/20 0.38
PSMB9 P28065 1/20 0.38
PSMA5 P28066 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
SCHEMBL7532290 0.90 CTSS (0.58) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL7533810 0.83 CTSL (0.54) CTSLCTSBCTSSCTSKTACR2
SCHEMBL7530137 0.83 CTSS (0.62) CTSLCTSBCTSSCTSK
SCHEMBL7530187 0.81 CTSS (0.57) CTSLCTSBCTSSCTSK
SCHEMBL7533061 0.81 CTSS (0.56) CTSLCTSBCTSSCTSK
SCHEMBL7526705 0.80 CTSS (0.55) CTSLCTSBCTSSCTSK
SCHEMBL7530898 0.80 CTSS (0.65) CTSLCTSBCTSSCTSK
SCHEMBL7531164 0.80 CTSS (0.54) CTSLCTSBCTSSCTSK
SCHEMBL7530008 0.80 CTSK (0.63) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL7536001 0.79 CTSL (0.55) CTSLCTSBCTSSCTSK

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