SCHEMBL27209010

SCHEMBL27209010

CO/C=C(/C(=O)OC)c1cccc(Br)c1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
AHR P35869 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
F2R P25116 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MYC P01106 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
SCHEMBL31607659 1.00 NPC1 (0.36) NPC1RAB9AKMT2AMEN1AHR
SCHEMBL9152862 0.86 NPC1 (0.41) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL8200612 0.86 NPC1 (0.41) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL8200609 0.86 NPC1 (0.41) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL7475004 0.82 PTGS2 (0.42) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL9315359 0.82 KDR (0.37) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL27209009 0.82 PTGS2 (0.42) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL31607697 0.82 PTGS2 (0.42) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL31711603 0.82 ESR1 (0.41) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL7659208 0.82 PTGS2 (0.42) KMT2AMEN1ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4608802-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 XV BASF SE (DE) 2025-09-03 EP disclosed
CN-120091993-A Use of strobilurin type compounds for combating phytopathogenic fungi comprising the amino acid substitution F129L in the mitochondrial cytochrome b protein conferring resistance to Qo inhibitor XV 巴斯夫欧洲公司 2025-06-03 CN disclosed
WO-2024088792-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 XV BASF SE (DE) 2024-05-02 WO disclosed
EP-4361126-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 XV BASF SE (DE) 2024-05-01 EP disclosed