SCHEMBL2085089

SCHEMBL2085089

CCCOc1nnnc(OCCC)c1OCCC

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
MAPT P10636 2/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
MCL1 Q07820 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL899056 0.85 FAAH (0.40) ALDH1A1CDK1CCNB1CCNA2CDK2
SCHEMBL3825394 0.75 HPGD (0.33) HPGDSMN1; SMN2
SCHEMBL2085970 0.74 CSNK2A1 (0.32) ALDH1A1
SCHEMBL10691210 0.73 LTA4H (0.37) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL13960183 0.66 TLR4 (0.33) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL16575423 0.66 TLR4 (0.33) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL12668093 0.65 CACNA2D1 (0.39) MAPT
SCHEMBL737955 0.64 KMT2A (0.37) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL16575415 0.64 TLR4 (0.32) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL11312550 0.64 KMT2A (0.36) ALDH1A1MAPTKDM4EHPGDHTT

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
EP-2123635-B1 METHOD FOR PRODUCTION OF LAUROLACTAM UNIV NAGOYA NAT UNIV CORP (JP) 2013-06-05 EP disclosed
US-8163899-B2 Process for producing laurolactam NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-04-24 US disclosed
US-20100324283-A1 PROCESS FOR PRODUCING LAUROLACTAM NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-12-23 US disclosed
EP-2123635-A1 METHOD FOR PRODUCTION OF LAUROLACTAM National University Corporation Nagoya University (JP) 2009-11-25 EP disclosed