SCHEMBL28917435

SCHEMBL28917435

CON=C(C(=O)O)c1cccc(C)c1CO/N=C(\C)c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
HIF1A Q16665 3/20 0.35
PKM P14618 1/20 0.35
PTPN1 P18031 1/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
KAT6A Q92794 1/20 0.33
CA12 O43570 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL25224343 1.00 NPC1 (0.37) NPC1SMN1; SMN2RAB9AHIF1APKM
SCHEMBL23965620 0.90 HIF1A (0.45) NPC1SMN1; SMN2RAB9AHIF1APKM
SCHEMBL30168077 0.90 HIF1A (0.45) NPC1SMN1; SMN2RAB9AHIF1APKM
SCHEMBL23965621 0.89 ALDH1A1 (0.38) NPC1SMN1; SMN2RAB9AHIF1APKM
SCHEMBL30168064 0.89 GAA (0.36) NPC1SMN1; SMN2RAB9AHIF1APKM
SCHEMBL30104137 0.89 HIF1A (0.38) NPC1SMN1; SMN2RAB9AHIF1APKM
SCHEMBL23965569 0.89 GAA (0.36) NPC1SMN1; SMN2RAB9AHIF1APKM
SCHEMBL30214721 0.85 HIF1A (0.41) NPC1SMN1; SMN2RAB9AHIF1APKM
SCHEMBL23983965 0.84 PKM (0.39) NPC1SMN1; SMN2RAB9AHIF1APKM
SCHEMBL25243846 0.83 PPARA (0.43) NPC1SMN1; SMN2RAB9AHIF1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115484821-A Use of strobilurin-type compounds to control phytopathogenic fungi containing the amino acid substitution F129L in the mitochondrial cytochrome b protein conferring tolerance to Qo inhibitor III 巴斯夫欧洲公司 2022-12-16 CN disclosed
CN-115484820-A Use of strobilurin-type compounds to control phytopathogenic fungi containing in the mitochondrial cytochrome b protein an amino acid substitution F129L conferring tolerance to Qo inhibitor I 巴斯夫欧洲公司 2022-12-16 CN disclosed
CN-115460920-A Use of strobilurin-type compounds to control phytopathogenic fungi containing in the mitochondrial cytochrome b protein an amino acid substitution F129L conferring tolerance to Qo inhibitor II 巴斯夫欧洲公司 2022-12-09 CN disclosed