SCHEMBL6234929

SCHEMBL6234929

COC(=O)C1(C(=N)OCc2ccccc2)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.46
ALDH1A1 P00352 2/20 0.45
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
CTSK P43235 1/20 0.41
FKBP1A P62942 1/20 0.41

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
SCHEMBL6235063 1.00 CTSL (0.46) CTSLCTSBCTSSALDH1A1DDB1
SCHEMBL6231440 0.99 ALDH1A1 (0.46) CTSLCTSBCTSSALDH1A1DDB1
SCHEMBL4867759 0.88 ALDH1A1 (0.44) ALDH1A1DDB1CRBN
SCHEMBL4868005 0.87 ALDH1A1 (0.45) CTSLCTSBCTSSALDH1A1DDB1
SCHEMBL4864688 0.87 ALDH1A1 (0.45) CTSLCTSBCTSSALDH1A1DDB1
SCHEMBL4863360 0.85 ALDH1A1 (0.46) CTSLCTSBCTSSALDH1A1DDB1
SCHEMBL6236356 0.85 GAA (0.43) ALDH1A1DDB1CRBNFKBP1A
SCHEMBL4864647 0.85 GAA (0.43) ALDH1A1DDB1CRBNFKBP1A
SCHEMBL4869754 0.84 CYP3A4 (0.42) ALDH1A1
SCHEMBL6236539 0.83 ALDH1A1 (0.40) ALDH1A1DDB1CRBNFKBP1A

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-2005005456-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-01-20 WO disclosed