SCHEMBL23965654

SCHEMBL23965654

CCC/C=C(\C(C)=O)c1ccccc1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 3/20 0.34
PTPN1 P18031 1/20 0.33
TSHR P16473 6/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
BRD4 O60885 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
BAZ2B Q9UIF8 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
SCHEMBL23965716 0.84 GAA (0.40) GAALMNAL3MBTL1HPGDTP53
SCHEMBL23967930 0.79 HPGD (0.42) GAALMNAL3MBTL1HPGDTP53
SCHEMBL23965593 0.78 KDM4E (0.33) GAAHPGDKDM4EALDH1A1TSHR
SCHEMBL14763931 0.75 CES2 (0.45) GAALMNAL3MBTL1HPGDKDM4E
SCHEMBL23978149 0.72 CXCR5 (0.37) GAAHPGDCYP4F2CYP4A11KDM4E
SCHEMBL3135001 0.72 LMNA (0.52) GAALMNAL3MBTL1HPGDTP53
SCHEMBL10650356 0.71 F7 (0.46) KDM4E
SCHEMBL23965683 0.69 LMNA (0.46) GAALMNAL3MBTL1HPGDTP53
SCHEMBL11063799 0.69 MEN1 (0.46) LMNAL3MBTL1ALDH1A1TSHR
SCHEMBL11063804 0.69 MEN1 (0.46) LMNAL3MBTL1ALDH1A1TSHR

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-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-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-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