Caprolactam

Caprolactam

SCHEMBL8635740

O=C1CCCCC(C(=O)c2ccccc2)N1.O=C1CCCCCN1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.48
FKBP5 Q13451 1/20 0.42
CRBN Q96SW2 1/20 0.42
CTSD P07339 5/20 0.42
MMP1 P03956 3/20 0.41
MMP2 P08253 3/20 0.41
MMP3 P08254 3/20 0.41
MMP9 P14780 3/20 0.41
MMP8 P22894 3/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
IDE P14735 1/20 0.38
MME P08473 4/20 0.38
ACE P12821 2/20 0.38

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
SCHEMBL38409 0.90 MCL1 (0.57) MCL1CRBNSMN1; SMN2MMEACE
SCHEMBL8014971 0.90 MCL1 (0.57) MCL1CRBNSMN1; SMN2MMEACE
SCHEMBL8645790 0.89 MCL1 (0.55) MCL1CRBNSMN1; SMN2MMEACE
SCHEMBL38246 0.86 MCL1 (0.50) MCL1CRBNSMN1; SMN2
SCHEMBL1933595 0.84 MCL1 (0.44) MCL1SMN1; SMN2MMEACE
SCHEMBL10531994 0.84 MCL1 (0.44) MCL1SMN1; SMN2MMEACE
SCHEMBL993051 0.83 MCL1 (0.45) MCL1NPC1RAB9ASMN1; SMN2MME
SCHEMBL9621799 0.82 MCL1 (0.43) MCL1NPC1RAB9ASMN1; SMN2MME
SCHEMBL3258686 0.82 FKBP5 (0.52) FKBP5CRBNMMP1MMP2MMP3
SCHEMBL991131 0.80 MCL1 (0.44) MCL1SMN1; SMN2MMEACE

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
US-5755992-A MIXED WITH POLYMERIC DYE TRANSFER INHIBITOR; ANTISOILANT PRETREATMENT WASH THE PROCTER & GAMBLE COMPANY (US) 1998-05-26 US disclosed
EP-0726933-A4 DETERGENT COMPOSITIONS PROCTER & GAMBLE (US) 1997-01-22 EP disclosed
EP-0726933-A1 DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-08-21 EP disclosed
WO-1995012652-A1 DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1995-05-11 WO disclosed