SCHEMBL28249684

SCHEMBL28249684

NC(=O)C1OC(=O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.44
ATM Q13315 1/20 0.43
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL16031186 0.83 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AGLAHSD17B10
SCHEMBL5155844 0.82 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AGLAHSD17B10
Benzene SCHEMBL27977946 0.82 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AGLAHSD17B10
SCHEMBL1408521 0.82 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AGLAHSD17B10
SCHEMBL16031185 0.81 ATM (0.41) ALDH1A1MAPTKMT2AGLAATM
SCHEMBL11113554 0.81 ATM (0.49) ALDH1A1KMT2AATMHSD17B10MEN1
SCHEMBL6086661 0.81 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AGLAHSD17B10
SCHEMBL3945895 0.81 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AGLAHSD17B10
SCHEMBL28360990 0.81 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AGLAHSD17B10
SCHEMBL2145539 0.80 MAPT (0.45) ALDH1A1MAPTKMT2AGLAHSD17B10

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108727352-B Piperidine alkane carbamoyl phthalide compounds, preparation method and application thereof 四川大学 2021-04-23 CN claimed
CN-108727352-A A kind of piperidines alkane carbamyl phthalide analog compound, preparation method and use 四川大学 2018-11-02 CN claimed
CN-119798269-A Preparation method of le Keping 安徽诺尔康药业有限公司 2025-04-11 CN disclosed
CN-108727352-B Piperidine alkane carbamoyl phthalide compounds, preparation method and application thereof 四川大学 2021-04-23 CN disclosed
CN-108727352-B Piperidine alkane carbamoyl phthalide compounds, preparation method and application thereof 四川大学 2021-04-23 CN disclosed
CN-108727352-A A kind of piperidines alkane carbamyl phthalide analog compound, preparation method and use 四川大学 2018-11-02 CN disclosed
CN-108727352-A A kind of piperidines alkane carbamyl phthalide analog compound, preparation method and use 四川大学 2018-11-02 CN disclosed
CN-108727352-A A kind of piperidines alkane carbamyl phthalide analog compound, preparation method and use 四川大学 2018-11-02 CN disclosed