Caprolactam

Caprolactam

SCHEMBL6747086

C=C(C)C(=O)OCCO.O=C1CCCCCN1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FKBP5 Q13451 1/20 0.46
CRBN Q96SW2 1/20 0.46
OR51E2 Q9H255 1/20 0.39
THRB P10828 1/20 0.38
TSHR P16473 3/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
SIRT2 Q8IXJ6 2/20 0.31
SIRT1 Q96EB6 2/20 0.31
SIRT3 Q9NTG7 2/20 0.31
MERTK Q12866 1/20 0.31
CTSD P07339 2/20 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
2-Pyrrolidone SCHEMBL17241782 0.94 OR51E2 (0.46) FKBP5CRBNOR51E2THRBTSHR
Caprolactam SCHEMBL28037719 0.87 FKBP5 (0.47) FKBP5CRBNOR51E2THRBTSHR
Caprolactam SCHEMBL6408803 0.85 FKBP5 (0.42) FKBP5CRBNOR51E2THRBTSHR
Caprolactam SCHEMBL27989255 0.84 L3MBTL1 (0.35) FKBP5CRBNTHRBKDM4EPOLB
Caprolactam SCHEMBL5610881 0.83 FKBP5 (0.40) FKBP5CRBNOR51E2THRBTSHR
2-Pyrrolidone SCHEMBL28304483 0.82 OR51E2 (0.46) FKBP5CRBNOR51E2THRBTSHR
Caprolactam SCHEMBL28170750 0.82 CRBN (0.52) FKBP5CRBNOR51E2TSHRKDM4E
Caprolactam SCHEMBL2036759 0.82 FKBP5 (0.39) FKBP5CRBNOR51E2THRBTSHR
2-Pyrrolidone SCHEMBL8133376 0.81 OR51E2 (0.47) FKBP5CRBNOR51E2THRBTSHR
Caprolactam SCHEMBL6746702 0.80 TSHR (0.54) FKBP5CRBNOR51E2THRBTSHR

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
US-6699544-B2 Self-reinforced shaped article ROEHM GMBH & CO. KG (DE) 2004-03-02 US disclosed
US-20030017289-A1 Self-reinforcing thermoplastically-deformable semi-finished product, in particular for the production of sanitary items, method for production thereof and moulded bodies made therefrom ROEHM GMBH & CO. KG (DE) 2003-01-23 US disclosed