SCHEMBL13989307

SCHEMBL13989307

CNCC(O)COCCOCCOCCOCC(O)CN

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL10001671 0.88 KDM4E (0.48) HTTMEN1ALDH1A1KMT2AALOX15
SCHEMBL1471751 0.83 HTT (0.59) HTTMEN1ALDH1A1KMT2AALOX15
SCHEMBL3883091 0.81 HTT (0.61) HTTMEN1ALDH1A1KMT2AALOX15
SCHEMBL21140133 0.78 HTT (0.47) HTTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL16826724 0.78 HTT (0.55) HTTMEN1ALDH1A1KMT2AALOX15
SCHEMBL13989308 0.78 HTT (0.60) HTTMEN1ALDH1A1KMT2AALOX15
SCHEMBL10001673 0.77 KDM4E (0.44) HTTALOX15KDM4EADRB2ADRB1
SCHEMBL14367328 0.76 ALOX15 (0.38) HTTMEN1ALDH1A1KMT2AALOX15
SCHEMBL14288776 0.76
SCHEMBL680394 0.76

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-20080318832-A1 Liquid detergent compositions with low polydispersity polyacrylic acid based polymers PROCTER & GAMBLE COMPANY, THE 2008-12-25 US disclosed