SCHEMBL10780249

SCHEMBL10780249

C#CC(I)N(C=O)CCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 3/20 0.39
ADH1A P07327 3/20 0.39
ADH4 P08319 3/20 0.39
DNM1 Q05193 3/20 0.33
TSHR P16473 1/20 0.32
ZDHHC20 Q5W0Z9 2/20 0.32
ADH1B P00325 2/20 0.31
ADH7 P40394 2/20 0.31
EPHX1 P07099 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.30
GGPS1 O95749 3/20 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
SCHEMBL10778067 1.00 ADH1C (0.39) ADH1CADH1AADH4DNM1TSHR
SCHEMBL27906062 0.74 ADH1C (0.46) ADH1CADH1AADH4DNM1TSHR
SCHEMBL27428739 0.71 ADH1C (0.43) ADH1CADH1AADH4DNM1TSHR
SCHEMBL19773664 0.67 ADH1C (0.39) ADH1CADH1AADH4DNM1TSHR
SCHEMBL16691384 0.66 ADH1C (0.39) ADH1CADH1AADH4DNM1TSHR
SCHEMBL9418798 0.66 ADH1C (0.39) ADH1CADH1AADH4DNM1TSHR
SCHEMBL9418808 0.66 ADH1C (0.39) ADH1CADH1AADH4DNM1TSHR
SCHEMBL270452 0.65 ADH1C (0.35) ADH1CADH1AADH4TSHRADH1B
SCHEMBL3962903 0.64 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR
SCHEMBL95389 0.64 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR

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-4661632-A Halogenopropargylformamide pesticides BAYER AKTIENGESELLSCHAFT (DE) 1987-04-28 US disclosed