SCHEMBL21099797

SCHEMBL21099797

C=CNCCCCCCCCCCCCCCCCCC=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HIF1A Q16665 1/20 0.43
ADH1B P00325 2/20 0.41
ADH1C P00326 2/20 0.41
ADH1A P07327 2/20 0.41
ADH7 P40394 2/20 0.41
EPHX1 P07099 1/20 0.41
ADH4 P08319 1/20 0.41
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 2/20 0.39
PPARA Q07869 1/20 0.31

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
SCHEMBL28756013 0.82 TSHR (0.46) TSHRADH1BADH1CADH1AADH7
SCHEMBL25750315 0.82 TSHR (0.46) TSHRADH1BADH1CADH1AADH7
SCHEMBL14049815 0.81 ADH1B (0.59) TSHRHIF1AADH1BADH1CADH1A
SCHEMBL17128629 0.81 ADH1B (0.59) TSHRHIF1AADH1BADH1CADH1A
SCHEMBL5967504 0.81 ADH1B (0.59) TSHRHIF1AADH1BADH1CADH1A
SCHEMBL20969492 0.81 ADH1B (0.36) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL13692972 0.78
SCHEMBL24447300 0.78 TSHR (0.34) TSHRHIF1AFAAHTRPV1
SCHEMBL2285298 0.75 ADH1B (0.52) TSHRADH1BADH1CADH1AADH7
SCHEMBL2282753 0.75 ADH1B (0.52) TSHRADH1BADH1CADH1AADH7

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
EP-2986313-B1 STABLE, PROTRACTED GLP-1/GLUCAGON RECEPTOR CO-AGONISTS FOR MEDICAL USE NOVO NORDISK AS (DK) 2019-06-12 EP disclosed