SCHEMBL10732167

SCHEMBL10732167

CCCCC1CCC(=O)N1.O=C1CCCCCCN1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP5 Q13451 1/20 0.46
CRBN Q96SW2 1/20 0.46
SIRT2 Q8IXJ6 5/20 0.45
SIRT1 Q96EB6 5/20 0.45
SIRT3 Q9NTG7 5/20 0.45
CTSD P07339 5/20 0.45
OR51E2 Q9H255 1/20 0.39
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCR2 P41597 2/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL10729075 0.89 SIRT2 (0.43) FKBP5CRBNSIRT2SIRT1SIRT3
SCHEMBL7717336 0.85 CYP1A2 (0.42) SIRT2SIRT1SIRT3CTSDALDH1A1
SCHEMBL6439316 0.84 ALDH1A1 (0.44) CRBNALDH1A1L3MBTL1TP53KDM4E
SCHEMBL1423906 0.83 ALDH1A1 (0.41) SIRT2SIRT1SIRT3ALDH1A1L3MBTL1
Caprolactam SCHEMBL3636353 0.81 SIRT2 (0.54) FKBP5CRBNSIRT2SIRT1SIRT3
SCHEMBL10380869 0.80 ALDH1A1 (0.45) SIRT2SIRT1SIRT3ALDH1A1L3MBTL1
SCHEMBL3503763 0.80 ALDH1A1 (0.50) CRBNALDH1A1L3MBTL1KDM4EPOLB
Caprolactam SCHEMBL6668448 0.79 CRBN (0.67) FKBP5CRBNSIRT2SIRT1SIRT3
SCHEMBL9800093 0.79 ALDH1A1 (0.46) SIRT2SIRT1SIRT3ALDH1A1L3MBTL1
SCHEMBL9646435 0.78 ALDH1A1 (0.53) CRBNALDH1A1L3MBTL1

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
US-4638026-A LACTAM ANTIOZONANT VULNAX INTERNATIONAL LIMITED (FR) 1987-01-20 US disclosed