SCHEMBL23965683

SCHEMBL23965683

CC(=O)C(=N)c1ccccc1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
PTPN1 P18031 3/20 0.38
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
ALDH1A1 P00352 1/20 0.38
BRD4 O60885 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
PDCD1 Q15116 1/20 0.35

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
SCHEMBL3135001 0.79 LMNA (0.52) LMNAHPGDGAAL3MBTL1NPC1
Acetic Acid SCHEMBL27805111 0.78 LMNA (0.47) LMNAHPGDGAAL3MBTL1NPC1
SCHEMBL12208462 0.75 ALDH1A1 (0.40) LMNAHPGDL3MBTL1ALDH1A1BRD4
SCHEMBL873231 0.75 HPGD (0.52) LMNAHPGDGAAL3MBTL1NPC1
SCHEMBL9668760 0.74 GAA (0.55) LMNAHPGDGAAL3MBTL1NPC1
SCHEMBL13243302 0.73 HPGD (0.46) LMNAHPGDGAAL3MBTL1NPC1
SCHEMBL23965666 0.73 HPGD (0.38) HPGDALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL23967930 0.73 HPGD (0.42) LMNAHPGDGAAL3MBTL1NPC1
SCHEMBL9938909 0.73 HPGD (0.53) LMNAHPGDGAAL3MBTL1NPC1
SCHEMBL374696 0.73 FOLH1 (0.61) LMNAHPGDGAAL3MBTL1TP53

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
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
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