SCHEMBL23967930

SCHEMBL23967930

CC(=O)/C(=C\N)c1ccccc1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
PTPN1 P18031 2/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
GLS O94925 1/20 0.35
BAZ2B Q9UIF8 2/20 0.34
BAZ2A Q9UIF9 2/20 0.34
BRD4 O60885 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
APOBEC3G Q9HC16 1/20 0.33
PARP1 P09874 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PDCD1 Q15116 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
SCHEMBL23965654 0.79 GAA (0.40) HPGDLMNAL3MBTL1GAANPC1
SCHEMBL3135001 0.75 LMNA (0.52) HPGDLMNAL3MBTL1GAANPC1
SCHEMBL23965683 0.73 LMNA (0.46) HPGDLMNAL3MBTL1GAANPC1
SCHEMBL19969993 0.72 CNR1 (0.41) BAZ2BPARP1
SCHEMBL619877 0.71 ALDH1A1 (0.52) HPGDLMNAL3MBTL1GAANPC1
SCHEMBL8179369 0.71 HPGD (0.49) HPGDLMNAL3MBTL1GAANPC1
SCHEMBL9668760 0.71 GAA (0.55) HPGDLMNAL3MBTL1GAANPC1
Acetic Acid SCHEMBL27805111 0.70 LMNA (0.47) HPGDLMNAL3MBTL1GAANPC1
SCHEMBL22114026 0.70 CTSD (0.39) HPGDLMNAGAAALDH1A1KDM4E
SCHEMBL7658118 0.70 HPGD (0.44) HPGDLMNAL3MBTL1GAANPC1

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-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