SCHEMBL7647901

SCHEMBL7647901

CCCCN(C(=O)c1nnc(-c2ccc(OC)cc2)o1)C(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.65
CTSB P07858 13/20 0.65
CTSS P25774 13/20 0.65
CTSK P43235 11/20 0.65
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
ABCG2 Q9UNQ0 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2A1 P68400 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7537335 0.92 CTSL (0.65) CTSLCTSBCTSSCTSKHDAC3
SCHEMBL7537053 0.79 CTSS (1.00) CTSLCTSBCTSSCTSKKDM4E
SCHEMBL7647908 0.78 CTSL (0.68) CTSLCTSBCTSSCTSK
SCHEMBL7537370 0.77 POLB (0.40) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7534190 0.76 CTSK (0.91) CTSLCTSBCTSSCTSK
SCHEMBL7569060 0.74 CTSS (1.00) CTSLCTSBCTSSCTSKABCG2
SCHEMBL7529726 0.72 CTSS (1.00) CTSLCTSBCTSSCTSKKDM4E
SCHEMBL7535316 0.72 CTSL (0.40) CTSLCTSBCTSSCTSKKDM4E
SCHEMBL7537340 0.71 CTSL (0.66) CTSLCTSBCTSSCTSKHDAC3
SCHEMBL7531501 0.69 CTSS (1.00) 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