SCHEMBL9909688

SCHEMBL9909688

NCCCC[C@H](N)C(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.46
TRPV1 Q8NER1 1/20 0.40
TRPA1 O75762 1/20 0.40
RNPEP Q9H4A4 1/20 0.39
NFKB1 P19838 1/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA3 P07451 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
DNM1 Q05193 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL24515068 1.00 GSR (0.46) GSRTRPV1TRPA1RNPEPNFKB1
SCHEMBL17343089 1.00 GSR (0.46) GSRTRPV1TRPA1RNPEPNFKB1
SCHEMBL12321201 0.83 GSR (0.46) GSRTRPV1TRPA1RNPEPNFKB1
SCHEMBL1221851 0.82 NFKB1 (0.50) GSRRNPEPNFKB1CA12CA1
SCHEMBL6722184 0.79 DNM1 (0.53) GSRTRPV1NFKB1CA12CA1
SCHEMBL11212697 0.79 DNM1 (0.53) GSRTRPV1NFKB1CA12CA1
SCHEMBL23034836 0.79 DNM1 (0.53) GSRTRPV1NFKB1CA12CA1
SCHEMBL11207922 0.79 DNM1 (0.53) GSRTRPV1NFKB1CA12CA1
SCHEMBL16402420 0.79 DNM1 (0.53) GSRTRPV1NFKB1CA12CA1
SCHEMBL11214909 0.79 DNM1 (0.53) GSRTRPV1NFKB1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022123271-A1 NOVEL COMPOUNDS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2022-06-16 WO disclosed
WO-2014028026-A9 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL HEXANES AND PENTANES FROM CARBOHYDRATE FEEDSTOCKS CELEXION, LLC (US) 2015-03-26 WO disclosed
US-8192976-B2 Biological synthesis of difunctional alkanes from carbohydrate feedstocks CELEXION, LLC (US) 2012-06-05 US disclosed
US-8192976-B2 Biological synthesis of difunctional alkanes from carbohydrate feedstocks CELEXION, LLC (US) 2012-06-05 US disclosed
US-20100151536-A1 Biological Synthesis of Difunctional Alkanes from Carbohydrate Feedstocks CELEXION, LLC 2010-06-17 US disclosed
US-20100151536-A1 Biological Synthesis of Difunctional Alkanes from Carbohydrate Feedstocks CELEXION, LLC 2010-06-17 US disclosed