SCHEMBL7537340

SCHEMBL7537340

O=C(NC1(C(=O)NCCCCCC(=O)c2nnc(-c3ccccc3)o2)CCCCC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.66
CTSB P07858 15/20 0.66
CTSS P25774 15/20 0.66
CTSK P43235 12/20 0.66
CES1 P23141 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
FAAH O00519 1/20 0.40

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
SCHEMBL7647908 0.93 CTSL (0.68) CTSLCTSBCTSSCTSK
SCHEMBL7528461 0.86 CTSL (0.62) CTSLCTSBCTSSCTSK
SCHEMBL7534190 0.80 CTSK (0.91) CTSLCTSBCTSSCTSK
SCHEMBL7537335 0.77 CTSL (0.65) CTSLCTSBCTSSCTSKCES1
SCHEMBL7537053 0.74 CTSS (1.00) CTSLCTSBCTSSCTSK
SCHEMBL7569060 0.74 CTSS (1.00) CTSLCTSBCTSSCTSK
SCHEMBL7535321 0.74 FAAH (0.43) CTSLCTSBCTSSCTSKCES1
SCHEMBL7529726 0.72 CTSS (1.00) CTSLCTSBCTSSCTSK
SCHEMBL7531501 0.72 CTSS (1.00) CTSLCTSBCTSSCTSK
SCHEMBL7647901 0.71 CTSL (0.65) CTSLCTSBCTSSCTSKHDAC3

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