SCHEMBL14647474

SCHEMBL14647474

C=CCOCC(O)CN(CCO)CC(O)COCC=C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA7 P43166 4/20 0.52
ALDH1A1 P00352 5/20 0.41
CA9 Q16790 4/20 0.37
CA4 P22748 3/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.32
TSHR P16473 1/20 0.31
CYP2D6 P10635 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
SCHEMBL12401987 0.96 CA1 (0.52) CA1CA2CA7ALDH1A1CA9
SCHEMBL15829088 0.91 CA1 (0.44) CA1CA2CA7ALDH1A1CA9
SCHEMBL2849092 0.86 CA1 (0.52) CA1CA2CA7ALDH1A1CA9
SCHEMBL3076289 0.81 CA1 (0.55) CA1CA2CA7ALDH1A1CA9
SCHEMBL7163300 0.80 CA1 (0.46) CA1CA2CA7CA9CA4
SCHEMBL7165322 0.80 CA1 (0.46) CA1CA2CA7CA9CA4
SCHEMBL10433266 0.80 CA1 (0.53) CA1CA2CA7CA9CA4
SCHEMBL27092923 0.79 CA1 (0.49) CA1CA2CA7CA9CA4
SCHEMBL13966207 0.79 CA1 (0.49) CA1CA2CA7CA9CA4
SCHEMBL19608962 0.79 CA1 (0.52) CA1CA2CA7CA9CA4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371408-B2 Polymer and method for using the same GENERAL ELECTRIC COMPANY (US) 2016-06-21 US disclosed
US-9371408-B2 Polymer and method for using the same GENERAL ELECTRIC COMPANY (US) 2016-06-21 US disclosed
US-20140179854-A1 POLYMER AND METHOD FOR USING THE SAME GENERAL ELECTRIC COMPANY (US) 2014-06-26 US disclosed
US-20140179854-A1 POLYMER AND METHOD FOR USING THE SAME GENERAL ELECTRIC COMPANY (US) 2014-06-26 US disclosed
WO-2013009594-A2 POLYMER AND METHOD FOR USING THE SAME GENERAL ELECTRIC COMPANY (US) 2013-01-17 WO disclosed