SCHEMBL23969485

SCHEMBL23969485

CCC/C=C(\C(=O)OC)c1ccccc1CO/N=C(\C)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.46
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 3/20 0.37
PPARA Q07869 2/20 0.37
RXFP1 Q9HBX9 2/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
VNN1 O95497 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GSK3B P49841 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
SCHEMBL23965671 0.87 HIF1A (0.44) HIF1ARAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL23978996 0.82 HIF1A (0.67) HIF1ARAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL23969511 0.81 S1PR1 (0.40) HIF1ARAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL1263824 0.77 HIF1A (0.55) HIF1A
SCHEMBL23965585 0.76 GAA (0.41) HIF1ARAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL23978133 0.76 HPGD (0.39) HIF1ARAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL1263820 0.76 HIF1A (0.53) HIF1A
SCHEMBL1263826 0.76 HIF1A (0.53) HIF1A
SCHEMBL1263821 0.76 HIF1A (0.53) HIF1A
SCHEMBL25552199 0.74 HIF1A (0.48) HIF1ARAB9ANPC1SMN1; SMN2L3MBTL1

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-3903582-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS II BASF SE (DE) 2021-11-03 EP disclosed