SCHEMBL28872873

SCHEMBL28872873

CC(C)(C)c1ccc(C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.58
▸ ALDH1A1 P00352 6/20 0.58
▸ GSK3B P49841 1/20 0.51
▸ LMNA P02545 5/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HTT P42858 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CES1 P23141 1/20 0.46

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
SCHEMBL22599745 0.86 MAPT (0.59) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL28872876 0.83 PKM (0.62) MAPTALDH1A1GSK3BLMNARAB9A
SCHEMBL5167787 0.81 MAPT (0.52) MAPTALDH1A1GSK3BLMNARAB9A
SCHEMBL2684424 0.81 SRD5A2 (0.62) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL8985359 0.80 NPC1 (0.59) MAPTALDH1A1GSK3BLMNARAB9A
SCHEMBL668743 0.80 NPC1 (0.63) MAPTALDH1A1GSK3BRAB9ANPC1
SCHEMBL6751078 0.80 MAPT (0.72) MAPTALDH1A1GSK3BLMNARAB9A
SCHEMBL199347 0.80 CRHBP (0.62) MAPTALDH1A1GSK3BRAB9ANPC1
SCHEMBL4319309 0.80 CES2 (0.61) MAPTALDH1A1GSK3BRAB9ANPC1
SCHEMBL13236074 0.79 MAPT (0.53) MAPTALDH1A1GSK3BRAB9AGAA

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-109705051-B 2, 4, 5-trisubstituted oxazole and synthesis method thereof 湖南城市学院 2022-09-23 — — CN disclosed
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