SCHEMBL7529558

SCHEMBL7529558

O=C(NC1(C(=O)O)CCCCC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.52
CTSB P07858 11/20 0.52
CTSS P25774 11/20 0.52
CTSK P43235 11/20 0.52
TRPV1 Q8NER1 4/20 0.49
EPHX2 P34913 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SLC6A9 P48067 1/20 0.44
NAMPT P43490 1/20 0.44

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
SCHEMBL5105059 0.83 FABP4 (0.51) CTSLCTSBCTSSCTSKTRPV1
SCHEMBL1841973 0.82 CNR2 (0.52) CTSKTRPV1NPC1RAB9A
SCHEMBL7530031 0.81 CTSL (0.49) CTSLCTSBCTSSCTSKTRPV1
SCHEMBL1837320 0.80 CNR2 (0.49) CTSLCTSBCTSSCTSKNPC1
SCHEMBL12589522 0.80 ALOX15 (0.55) CTSLNPC1RAB9A
SCHEMBL1836676 0.78 CTSK (0.61) CTSLCTSBCTSSCTSK
SCHEMBL1976504 0.77 PLK1 (0.55) NPC1RAB9A
SCHEMBL1813782 0.76 CTSL (0.64) CTSLCTSBCTSSCTSKNPC1
SCHEMBL29460240 0.74 TRPV1 (0.48) TRPV1EPHX2NPC1RAB9ANAMPT
SCHEMBL1838927 0.74 GPR132 (0.50) 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