SCHEMBL30161362

SCHEMBL30161362

O=C(C(=O)c1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 9/20 0.87
CES1 P23141 8/20 0.87
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 1/20 0.55
EGFR P00533 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
PKM P14618 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
JAK1 P23458 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PTPN1 P18031 1/20 0.55

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
SCHEMBL14876982 1.00 CES2 (0.87) CES2CES1MEN1KMT2AMAPT
SCHEMBL31032483 0.93 CES2 (1.00) CES2CES1MEN1KMT2AMAPT
SCHEMBL7220072 0.93 CES2 (1.00) CES2CES1MEN1KMT2AMAPT
SCHEMBL1697489 0.87 CES2 (0.79) CES2CES1MEN1KMT2AMAPT
SCHEMBL28671070 0.86 CES2 (0.77) CES2CES1MEN1KMT2AMAPT
SCHEMBL31474564 0.84 CES2 (0.83) CES2CES1MEN1KMT2AMAPT
SCHEMBL29758291 0.84 CES2 (0.62) CES2CES1MEN1KMT2AMAPT
SCHEMBL28351547 0.84 CES2 (0.62) CES2CES1MEN1KMT2AMAPT
SCHEMBL29758292 0.84 CES2 (0.62) CES2CES1MEN1KMT2AMAPT
Beta-Naphtoic Acid SCHEMBL9008562 0.83 CES2 (0.65) CES2CES1MEN1KMT2AMAPT

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
CN-115536589-B Imidazolone oxime ester compound, preparation method, composition and application 江苏裕事达新材料科技有限责任公司 2024-11-22 CN disclosed
CN-109694352-B Imidazole ketoxime ester compound, preparation method, composition and application 江苏裕事达新材料科技有限责任公司 2023-04-07 CN disclosed
CN-115536589-A Imidazole ketoxime ester compound, preparation method, composition and application 江苏裕事达新材料科技有限责任公司 2022-12-30 CN disclosed