SCHEMBL6412835

SCHEMBL6412835

N#CCCC1CC=CCC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 2/20 0.32
KDM4E B2RXH2 1/20 0.31
CDK1 P06493 2/20 0.31
CCNB1 P14635 2/20 0.31
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
CCNA1 P78396 2/20 0.31
MAPK1 P28482 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
SCHEMBL4206844 0.82 JAK2 (0.30)
SCHEMBL4206849 0.82 JAK2 (0.30)
SCHEMBL17580303 0.79 ALDH1A1 (0.39) HSD17B10ALDH1A1ALOX15KDM4ECDK1
SCHEMBL14840617 0.79 MAPK1 (0.33) HSD17B10ALDH1A1ALOX15KDM4ECDK1
SCHEMBL1264951 0.78
SCHEMBL9552355 0.76 JAK2 (0.33) ALDH1A1
SCHEMBL1525295 0.75 ALDH1A1 (0.36) HSD17B10ALDH1A1ALOX15KDM4ECDK1
SCHEMBL2136195 0.75 MAPK1 (0.38) HSD17B10ALDH1A1ALOX15KDM4ECDK1
SCHEMBL2141114 0.75 MAPK1 (0.38) HSD17B10ALDH1A1ALOX15KDM4ECDK1
SCHEMBL2138361 0.74 ALDH1A1 (0.39) HSD17B10ALDH1A1ALOX15KDM4ECDK1

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-20050074615-A1 Polymeric crosslinkable compositions containing acetal amides E. I. DU PONT DE NEMOURS AND COMPANY 2005-04-07 US disclosed