SCHEMBL15028890

SCHEMBL15028890

O=CCCNCCNCCNCCNCCC=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 3/20 0.33
LMNA P02545 2/20 0.33
ADH1B P00325 2/20 0.33
ADH1A P07327 2/20 0.33
ADH7 P40394 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
ALOX15 P16050 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 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
SCHEMBL8312541 0.96
SCHEMBL29349589 0.86 HIF1A (0.47) HIF1AALDH1A1TSHRLMNAADH1B
SCHEMBL24863800 0.85 ALDH1A1 (0.36) HIF1AALDH1A1TSHRTDP1ADH1B
SCHEMBL13625477 0.83 HIF1A (0.53) HIF1AALDH1A1TSHRADH1BADH1A
SCHEMBL7697738 0.81
SCHEMBL11698057 0.81
SCHEMBL2387372 0.81
SCHEMBL4454530 0.81
SCHEMBL6357543 0.81
SCHEMBL12491906 0.79

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-20130149783-A1 CLEAVABLE MODIFICATIONS TO REDUCIBLE POLY (AMIDO ETHYLENIMINES)S TO ENHANCE NUCLEOTIDE DELIVERY YOCKMAN JAMES WILLIAM (US) 2013-06-13 US disclosed