SCHEMBL29017686

SCHEMBL29017686

COC(=O)C(Cc1ccccc1)N1C(=O)C=CC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
ALDH1A1 P00352 5/20 0.48
GAA P10253 2/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HSD17B10 Q99714 3/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PTPN7 P35236 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL10536718 1.00 HSD11B1 (0.48) HSD11B1ALDH1A1GAAPKMMEN1
SCHEMBL6997025 1.00 HSD11B1 (0.48) HSD11B1ALDH1A1GAAPKMMEN1
SCHEMBL12205947 0.84 HSD11B1 (0.54) HSD11B1ALDH1A1GAAPKMMEN1
SCHEMBL19597541 0.84 ALDH1A1 (0.70) HSD11B1ALDH1A1GAAPKMMEN1
SCHEMBL9650037 0.84 ALDH1A1 (0.70) HSD11B1ALDH1A1GAAPKMMEN1
SCHEMBL19597540 0.84 ALDH1A1 (0.70) HSD11B1ALDH1A1GAAPKMMEN1
SCHEMBL8873673 0.82 ALDH1A1 (0.68) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL10536673 0.82 ALDH1A1 (0.68) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL9326774 0.82 ALDH1A1 (0.68) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL9356396 0.80 BCL2L2 (0.54) HSD11B1ALDH1A1GAAPKMKMT2A

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
WO-2024193071-A1 NEOTAME OFF-FLAVOR IMPROVER, ATOMIZED ESSENCE, AND AEROSOL GENERATING APPARATUS 深圳昱朋科技有限公司 2024-09-26 WO disclosed
CN-116268354-B Neotame peculiar smell modifier, atomized essence and aerosol generating device 深圳昱朋科技有限公司 2024-03-26 CN disclosed
CN-116268354-A Neotame peculiar smell modifier, atomized essence and aerosol generating device 深圳昱朋科技有限公司 2023-06-23 CN disclosed