Caprolactam

Caprolactam

SCHEMBL21273370

O=C1CCCCCN1.[CH2]CCCCCCCCCCC

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.53
FKBP5 Q13451 1/20 0.53
OR51E2 Q9H255 1/20 0.45
ALOX5 P09917 2/20 0.41
CCR2 P41597 7/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
SIRT2 Q8IXJ6 3/20 0.35
SIRT1 Q96EB6 3/20 0.35
SIRT3 Q9NTG7 3/20 0.35
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CXCR4 P61073 1/20 0.34
FAAH O00519 1/20 0.33
NAAA Q02083 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33

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
Undecane SCHEMBL3414259 0.91 CRBN (0.64) CRBNFKBP5OR51E2ALOX5CCR2
Dodecane SCHEMBL27688625 0.91 CRBN (0.64) CRBNFKBP5OR51E2ALOX5CCR2
Dodecane SCHEMBL28204455 0.89 CRBN (0.67) CRBNFKBP5OR51E2ALOX5CCR2
Caprolactam SCHEMBL6668448 0.89 CRBN (0.67) CRBNFKBP5OR51E2ALOX5CCR2
Caprolactam SCHEMBL28288208 0.88 CRBN (0.59) CRBNFKBP5OR51E2ALOX5CCR2
Caprolactam SCHEMBL28289632 0.86 FKBP5 (0.57) CRBNFKBP5OR51E2ALOX5CCR2
Octane SCHEMBL28288276 0.86 FKBP5 (0.57) CRBNFKBP5OR51E2ALOX5CCR2
Caprolactam SCHEMBL29165574 0.84 CRBN (0.59) CRBNFKBP5OR51E2ALOX5CCR2
Octane SCHEMBL5605719 0.84 OR51E2 (0.65) CRBNFKBP5OR51E2ALOX5CCR2
Caprolactam SCHEMBL28185598 0.83 CRBN (0.53) CRBNFKBP5OR51E2ALOX5CCR2

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-20190256700-A1 RESIN COMPOSITION AND MULTILAYERED STRUCTURE USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2019-08-22 US disclosed