Sugi Predict

Sugi Predict / Compounds / Caprolactam

Caprolactam

Caprolactam

SCHEMBL1415360

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

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

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
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ FGFR4 P22455 1/20 0.41
▸ 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 2/20 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
2-Pyrrolidone SCHEMBL2489556 0.92 OR51E2 (0.60) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL2325626 0.87 CRBN (0.61) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL8561273 0.86 CRBN (0.73) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL13571212 0.86 CRBN (0.73) CRBNFKBP5OR51E2KDM4EGAA
2-Pyrrolidone SCHEMBL29089087 0.86 OR51E2 (0.52) CRBNFKBP5OR51E2KDM4EGAA
2-Pyrrolidone SCHEMBL7161774 0.83 OR51E2 (0.48) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL1532933 0.82 CRBN (0.67) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL28299264 0.82 CRBN (0.73) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL28464885 0.82 CRBN (0.80) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL11276986 0.81 CRBN (0.53) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110467701-B Natural gas hydrate inhibitor, compound inhibitor and preparation method thereof 西北大学 2020-10-27 — — CN disclosed
CN-110467701-A A kind of hydrate inhibitor for natural gas, inhibitor and preparation method thereof UNIV NORTHWESTERN 2019-11-19 — — CN disclosed
CN-107666898-A AEROSOL HAIRSPRAY PRODUCT COMPRISING A SPRAYING DEVICE 宝洁公司 2018-02-06 — — CN disclosed
EP-2293826-B1 METHODS FOR MAKING ANTIMICROBIAL RESINS BAXTER INT (US) 2015-07-29 — — EP disclosed
US-8596361-B2 Proppants and uses thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-12-03 — — US disclosed
US-8454984-B2 Antimicrobial resin compositions BAXTER INTERNATIONAL INC. (US) 2013-06-04 — — US disclosed
US-20130004557-A1 Antimicrobial Resin Compositions BAXTER HEALTHCARE S.A. (CH) 2013-01-03 — — US disclosed
US-8277826-B2 Methods for making antimicrobial resins BAXTER INTERNATIONAL INC. (US) 2012-10-02 — — US disclosed
EP-2293826-A1 METHODS FOR MAKING ANTIMICROBIAL RESINS Baxter International Inc. (US) 2011-03-16 — — EP disclosed
US-20100263865-A1 PROPPANTS AND USES THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-10-21 — — US disclosed
WO-2010008667-A1 METHODS FOR MAKING ANTIMICROBIAL RESINS BAXTER INTERNATIONAL INC (US) 2010-01-21 — — WO disclosed
US-20090324666-A1 METHODS FOR MAKING ANTIMICROBIAL RESINS BAXTER INTERNATIONAL INC. (US) 2009-12-31 — — US disclosed
WO-2009079233-A2 PROPPANTS AND USES THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-06-25 — — WO disclosed
EP-0874867-B9 PARTIALLY CROSS-LINKED MICROSPHERES MINNESOTA MINING & MFG (US) 2003-09-10 — — EP disclosed
EP-0874867-B1 PARTIALLY CROSS-LINKED MICROSPHERES MINNESOTA MINING & MFG (US) 2002-09-11 — — EP disclosed