SCHEMBL7528076

SCHEMBL7528076

CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC)c(OC)c2)CCCCC1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.54
CTSB P07858 11/20 0.54
CTSS P25774 11/20 0.54
CTSK P43235 11/20 0.54
ALDH1A1 P00352 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
LPAR1 Q92633 1/20 0.40
NPPA P01160 1/20 0.39
MME P08473 1/20 0.39
FAAH O00519 1/20 0.39
SLC6A4 P31645 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 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
SCHEMBL7530008 0.90 CTSK (0.63) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7530107 0.89 CTSK (0.58) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7530187 0.86 CTSS (0.57) CTSLCTSBCTSSCTSKNPPA
SCHEMBL7533061 0.86 CTSS (0.56) CTSLCTSBCTSSCTSKNPPA
SCHEMBL7532290 0.86 CTSS (0.58) CTSLCTSBCTSSCTSKNPPA
SCHEMBL7526705 0.86 CTSS (0.55) CTSLCTSBCTSSCTSKNPPA
SCHEMBL7531164 0.86 CTSS (0.54) CTSLCTSBCTSSCTSKNPPA
SCHEMBL7531445 0.85 CTSS (0.49) CTSLCTSBCTSSCTSKNPPA
SCHEMBL7530137 0.85 CTSS (0.62) CTSLCTSBCTSSCTSKNPPA
SCHEMBL7533810 0.85 CTSL (0.54) CTSLCTSBCTSSCTSKNPPA

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