Caprolactam

Caprolactam

SCHEMBL11276986

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

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.53
FKBP5 Q13451 1/20 0.53
OR51E2 Q9H255 1/20 0.45
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
MERTK Q12866 1/20 0.34

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
Caprolactam SCHEMBL28309060 0.85 CRBN (0.52) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL2325626 0.82 CRBN (0.61) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL1415360 0.81 CRBN (0.59) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL6746700 0.80 FKBP5 (0.46) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL6746702 0.80 TSHR (0.54) CRBNFKBP5OR51E2KDM4EGAA
Acrylic Acid Methyl Ester SCHEMBL4203174 0.78 OR51E2 (0.52) CRBNFKBP5OR51E2KDM4EGAA
2-Pyrrolidone SCHEMBL3378461 0.78 OR51E2 (0.52) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL28299264 0.78 CRBN (0.73) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL4961789 0.76 CRBN (0.76) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL11316945 0.75 CRBN (0.84) CRBNFKBP5OR51E2KDM4EGAA

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-4357219-A Solventless UV cured thermosetting cement coat WESTINGHOUSE ELECTRIC CORP. (US) 1982-11-02 US claimed