SCHEMBL23965605

SCHEMBL23965605

COC(=O)/C(=C\C[C@@H](C)OC)c1cccc(C)c1CO/N=C(\C)c1ccccc1O

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.32
LMNA P02545 4/20 0.31
TSHR P16473 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 2/20 0.31
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 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
SCHEMBL23965669 0.90 HPGD (0.38) LMNANPC1RAB9AL3MBTL1HTT
SCHEMBL26497148 0.78 HIF1A (0.47) KDM1ALMNATSHRNPC1RAB9A
SCHEMBL23969493 0.78 SCN1A (0.31)
SCHEMBL23978133 0.75 HPGD (0.39) LMNANPC1RAB9AKMT2AL3MBTL1
SCHEMBL25551838 0.74 KCNK3 (0.38) LMNANPC1RAB9AKMT2AL3MBTL1
SCHEMBL23965592 0.73
SCHEMBL23965598 0.73 MAPT (0.37) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL26497376 0.73 HIF1A (0.36) KDM1ALMNATSHRNPC1RAB9A
SCHEMBL23969524 0.72 S1PR1 (0.37) LMNANPC1RAB9AL3MBTL1HPGD
SCHEMBL23971770 0.72 S1PR1 (0.36) LMNAGAAALDH1A1

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-3903583-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 III BASF SE (DE) 2021-11-03 EP disclosed
EP-3903584-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 IV BASF SE (DE) 2021-11-03 EP disclosed
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
EP-3903581-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 I BASF SE (DE) 2021-11-03 EP disclosed