SCHEMBL29639263

SCHEMBL29639263

COC(=O)c1cc2ccc(N)cc2cc1C(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.61
ALDH1A1 P00352 9/20 0.47
KDM4E B2RXH2 7/20 0.47
HSD17B10 Q99714 5/20 0.47
HPGD P15428 4/20 0.47
MAPT P10636 3/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
GLA P06280 2/20 0.47
ATM Q13315 1/20 0.47
CFTR P13569 2/20 0.47
ABL1 P00519 1/20 0.46
ALOX15 P16050 2/20 0.45
CYP3A4 P08684 2/20 0.45
HBB P68871 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 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
SCHEMBL1403643 0.82 GAA (0.72) GAAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9618201 0.82 CA12 (0.50) GAAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2330668 0.81 PLAU (0.61) GAAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL7623605 0.81 GAA (0.70) GAAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL6416051 0.80 PLAU (0.56) GAAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL28694398 0.80 CA12 (0.48) GAAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL30151494 0.79 PTPN11 (0.58) GAAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL10479344 0.79 CA12 (0.61) GAAMAPTABL1SLC6A2SLC6A4
SCHEMBL17922667 0.79 CYP2A6 (0.50) ALDH1A1KDM4EHPGDMAPTTDP1
SCHEMBL26882759 0.79 KDM4E (0.57) GAAALDH1A1KDM4EHSD17B10HPGD

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
CN-113845458-B Fluorescent probe for detecting pyroglutamyl aminopeptidase I and preparation method and application thereof 西北工业大学 2022-05-17 CN disclosed