Caprolactam

Caprolactam

SCHEMBL6746700

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

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP5 Q13451 1/20 0.46
CRBN Q96SW2 1/20 0.46
OR51E2 Q9H255 1/20 0.39
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
CTSD P07339 5/20 0.32
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
ADAM17 P78536 1/20 0.31
TSHR P16473 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
Caprolactam SCHEMBL28309060 0.82 CRBN (0.52) FKBP5CRBNOR51E2KDM4EGAA
Caprolactam SCHEMBL11276986 0.80 CRBN (0.53) FKBP5CRBNOR51E2KDM4EGAA
Caprolactam SCHEMBL6747085 0.80 FKBP5 (0.46) FKBP5CRBNOR51E2KDM4EGAA
2-Pyrrolidone SCHEMBL27468085 0.79 OR51E2 (0.42) FKBP5CRBNOR51E2
Caprolactam SCHEMBL28211534 0.78 CRBN (0.70) FKBP5CRBNOR51E2KDM4EGAA
SCHEMBL4213301 0.77 CA1 (0.46) TSHR
Caprolactam SCHEMBL28301368 0.77 TSHR (0.55) FKBP5CRBNOR51E2KDM4EGAA
Caprolactam SCHEMBL2325626 0.76 CRBN (0.61) FKBP5CRBNOR51E2KDM4EGAA
Caprolactam SCHEMBL28170207 0.76 TSHR (0.45) FKBP5CRBNOR51E2KDM4EGAA
Acrylic Acid Methyl Ester SCHEMBL4203174 0.75 OR51E2 (0.52) FKBP5CRBNOR51E2KDM4EGAA

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