Caprolactam

Caprolactam

SCHEMBL4163313

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

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.59
FKBP5 Q13451 1/20 0.59
OR51E2 Q9H255 1/20 0.50
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
SIRT2 Q8IXJ6 3/20 0.33
SIRT1 Q96EB6 3/20 0.33
SIRT3 Q9NTG7 3/20 0.33
MERTK Q12866 1/20 0.33
CTSD P07339 8/20 0.32
CCR2 P41597 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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 SCHEMBL183419 0.92 OR51E2 (0.60) CRBNFKBP5OR51E2KDM4EGAA
Methacrylic Acid SCHEMBL27631941 0.91 OR51E2 (0.58) CRBNFKBP5OR51E2KDM4EGAA
Methacrylic Acid SCHEMBL28219344 0.89 OR51E2 (0.56) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL16112032 0.88 CRBN (0.70) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL161418 0.87 CRBN (0.57) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL11135219 0.86 CRBN (0.73) CRBNFKBP5OR51E2KDM4EGAA
Acetic Acid SCHEMBL7696253 0.86 CRBN (0.73) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL4961789 0.84 CRBN (0.76) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL28301539 0.84 CRBN (0.84) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL28170750 0.83 CRBN (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106164219-B Composite nanoparticle comprising thioether ligand 3M创新有限公司 2019-03-01 CN disclosed
CN-108883597-A LAMINATES COMPRISING REINFORCED AEROGEL COMPOSITES W.L.戈尔及同仁股份有限公司 2018-11-23 CN disclosed
US-8477274-B2 Liquid crystal display device FUJIFILM CORPORATION (JP) 2013-07-02 US disclosed
US-20090086131-A1 LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed