SCHEMBL7529451

SCHEMBL7529451

O=CNC1(C(=O)OCc2ccccc2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.49
CTSS P25774 3/20 0.49
CTSB P07858 1/20 0.49
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
ALDH1A1 P00352 2/20 0.42
CTSK P43235 2/20 0.42

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
SCHEMBL8283714 0.83 CTSL (0.51) CTSLCTSSCTSBDDB1CRBN
SCHEMBL13177736 0.83 CTSL (0.54) CTSLCTSSCTSBDDB1CRBN
SCHEMBL12661032 0.83 CTSL (0.54) CTSLCTSSCTSBDDB1CRBN
SCHEMBL1837974 0.82 ALDH1A1 (0.54) CTSLCTSSCTSBDDB1CRBN
SCHEMBL7276396 0.81 CTSB (0.47) CTSLCTSSCTSBDDB1CRBN
SCHEMBL7360632 0.81 CTSL (0.49) CTSLCTSSCTSBDDB1CRBN
SCHEMBL15461488 0.81 CTSL (0.52) CTSLCTSSCTSBDDB1CRBN
SCHEMBL1840644 0.80 CTSS (0.59) CTSLCTSSCTSBDDB1CRBN
SCHEMBL1840338 0.80 CTSK (0.53) CTSLCTSSCTSBDDB1CRBN
SCHEMBL8296463 0.79 CTSL (0.47) CTSLCTSSCTSBDDB1CRBN

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
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO disclosed