Caprolactam

Caprolactam

SCHEMBL9389698

C=C(C)C(=O)O.C=CC(=O)O.C=CC1CCCCNC1=O.O=C1CCCCCN1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP5 Q13451 1/20 0.37
CRBN Q96SW2 1/20 0.37
CCR2 P41597 7/20 0.37
SIRT2 Q8IXJ6 2/20 0.33
SIRT1 Q96EB6 2/20 0.33
SIRT3 Q9NTG7 2/20 0.33
CTSD P07339 6/20 0.32
OR51E2 Q9H255 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
Methacrylic Acid SCHEMBL3634178 0.88 CCR2 (0.44) CCR2RAB9AALDH1A1KDM4E
Acrylic Acid SCHEMBL5336965 0.83 CCR2 (0.44) CCR2RAB9AALDH1A1KDM4E
2-Pyrrolidone SCHEMBL500136 0.81 OR51E2 (0.50) FKBP5CRBNCCR2CTSDOR51E2
Acetic Acid SCHEMBL28307059 0.81 CCR2 (0.47) CCR2RAB9AALDH1A1
Caprolactam SCHEMBL4163313 0.79 CRBN (0.59) FKBP5CRBNCCR2SIRT2SIRT1
Caprolactam SCHEMBL2325626 0.78 CRBN (0.61) FKBP5CRBNCCR2CTSDOR51E2
2-Pyrrolidone SCHEMBL868380 0.76 L3MBTL1 (0.35) FKBP5CRBNCCR2OR51E2
SCHEMBL29221977 0.76 CCR2 (0.42) FKBP5CRBNCCR2RAB9AALDH1A1
SCHEMBL17101670 0.76 CCR2 (0.42) FKBP5CRBNCCR2RAB9AALDH1A1
SCHEMBL2549849 0.76 CCR2 (0.42) FKBP5CRBNCCR2RAB9AALDH1A1

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-1994002540-A1 HIGHLY FILLED POLYMERIC COMPOSITIONS LUCEY MICHAEL F (US) 1994-02-03 WO disclosed