SCHEMBL11265183

SCHEMBL11265183

CCOC(=O)C(C(C)=O)C(C(=O)CC)c1ccccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.38
PPARG P37231 4/20 0.38
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 5/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ACP3 P15309 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL11069369 0.86 CASP1 (0.39) EPHX2PPARGCNR2KDM4EKMT2A
SCHEMBL11252362 0.81 CASP1 (0.48) EPHX2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL11265282 0.79 ALDH1A1 (0.43) KDM4EKMT2AALDH1A1HPGD
SCHEMBL11266327 0.77 MMP8 (0.47) KMT2AALDH1A1CYP1A2TDP1SLC6A2
SCHEMBL11255136 0.77 ALDH1A1 (0.51) KDM4EKMT2AALDH1A1CYP1A2TDP1
SCHEMBL29268488 0.76 EPHX2 (0.46) EPHX2PPARGCNR2KDM4EKMT2A
SCHEMBL11072379 0.75 EPHX2 (0.37) EPHX2PPARGCNR2KDM4EKMT2A
SCHEMBL6929206 0.74 KDM4E (0.44) EPHX2PPARGCNR2KDM4EKMT2A
SCHEMBL29226191 0.74 KMT2A (0.52) EPHX2PPARGCNR2KDM4EKMT2A
SCHEMBL11069375 0.73 MAPT (0.39) EPHX2PPARGCNR2KDM4EKMT2A

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
US-4360520-A 1,4-Dihydropyridazine compounds, and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1982-11-23 US disclosed