SCHEMBL29617518

SCHEMBL29617518

CC(C)(C)OC(=O)Nc1cc(C(=O)O)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.46
▸ LNPEP Q9UIQ6 4/20 0.45
▸ ERAP2 Q6P179 1/20 0.45
▸ MAPT P10636 6/20 0.45
▸ CDC25B P30305 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ GAA P10253 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ THRB P10828 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ GFER P55789 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ PLEC Q15149 1/20 0.43
▸ HDAC1 Q13547 2/20 0.42
▸ PTGER4 P35408 1/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL14876843 1.00 AAK1 (0.46) AAK1LNPEPERAP2MAPTCDC25B
SCHEMBL14876842 0.88 GAA (0.54) AAK1MAPTKDM4EGAAALDH1A1
SCHEMBL3256083 0.86 NPC1 (0.54) MAPTKDM4EALDH1A1HPGDNPC1
SCHEMBL8509027 0.85 CISD2 (0.42) AAK1MAPTKDM4EGAAALDH1A1
SCHEMBL2890796 0.84 MAPT (0.46) MAPTKDM4EGAAALDH1A1HPGD
SCHEMBL30779358 0.84 MAPT (0.46) MAPTKDM4EGAAALDH1A1HPGD
SCHEMBL2283371 0.84 PPARG (0.51) MAPTKDM4EGAAALDH1A1HDAC1
SCHEMBL9865843 0.84 KDM5A (0.50) MAPTKDM4EGAAALDH1A1HTT
SCHEMBL2227781 0.83 AAK1 (0.48) AAK1MAPTGAAHDAC1HDAC2
SCHEMBL29741562 0.83 HPGD (0.49) AAK1HPGDHDAC1SMN1; SMN2HDAC2

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-108201625-B Linker drugs and antibody drug complexes comprising the same 财团法人工业技术研究院 2022-06-07 — — CN disclosed
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