SCHEMBL29073115

SCHEMBL29073115

COc1cc2c(cnn2-c2ccc(-c3ccccc3)cc2OC)cc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.46
MAP4K1 Q92918 4/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HPGDS O60760 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
GRM5 P41594 2/20 0.39
GAK O14976 1/20 0.37
ABCB1 P08183 1/20 0.36
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL29073083 0.90 NR3C1 (0.44) NR3C1MAP4K1CYP11B1CYP11B2GRM5
SCHEMBL29073113 0.81 SLC2A1 (0.39) NR3C1MAP4K1HPGDSALDH1A1GAA
SCHEMBL25367846 0.79 NR3C1 (0.54) NR3C1MAP4K1CYP11B1CYP11B2MAPT
SCHEMBL29073108 0.78 SLC2A1 (0.37) NR3C1CYP11B1CYP11B2HPGDSALDH1A1
SCHEMBL30749528 0.75 CYP11B1 (0.38) MAP4K1CYP11B1CYP11B2ALDH1A1L3MBTL1
SCHEMBL27170578 0.75 CYP11B1 (0.38) MAP4K1CYP11B1CYP11B2ALDH1A1L3MBTL1
SCHEMBL29073127 0.74 MAP4K1 (0.37) NR3C1MAP4K1HPGDSALDH1A1GAA
SCHEMBL29073098 0.74 NR3C1 (0.49) NR3C1CYP11B1CYP11B2
SCHEMBL25368535 0.74 MAP4K1 (0.51) NR3C1MAP4K1CYP11B1CYP11B2ALDH1A1
SCHEMBL25366652 0.73 NR3C1 (0.47) NR3C1MAP4K1CYP11B1CYP11B2

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-116600801-A HSD17B13 inhibitors and uses thereof FL2022-001公司 2023-08-15 CN disclosed