SCHEMBL28568321

SCHEMBL28568321

CC=C(C)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
BCL9 O00512 1/20 0.54
CTNNB1 P35222 1/20 0.54
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 2/20 0.49
MGLL Q99685 2/20 0.48
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.46
MAOB P27338 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
THRB P10828 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GSK3B P49841 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
SCHEMBL3989423 0.84 GAA (0.62) GAABCL9CTNNB1ALDH1A1KMT2A
SCHEMBL7063519 0.84 GAA (0.65) GAABCL9CTNNB1ALDH1A1KMT2A
SCHEMBL16504635 0.84 LMNA (0.46) GAAALDH1A1KMT2ASMN1; SMN2PKM
SCHEMBL81995 0.81 GAA (0.58) GAABCL9CTNNB1ALDH1A1KMT2A
SCHEMBL11438212 0.81 MAOB (0.49) GAABCL9CTNNB1ALDH1A1KMT2A
SCHEMBL11427401 0.81 MAOA (0.49) GAABCL9CTNNB1ALDH1A1KMT2A
SCHEMBL11438211 0.81 MAOB (0.49) GAABCL9CTNNB1ALDH1A1KMT2A
SCHEMBL11427397 0.81 MAOA (0.49) GAABCL9CTNNB1ALDH1A1KMT2A
SCHEMBL8019131 0.81 GAA (0.57) GAABCL9CTNNB1ALDH1A1KMT2A
4-Nitrophenyl Acetate SCHEMBL74985 0.80 GAA (0.66) GAABCL9CTNNB1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112831206-A Inorganic oxide dispersion with controllable water content and preparation method thereof 凯斯科技股份有限公司 2021-05-25 CN claimed
CN-112831206-B Inorganic oxide dispersion with controllable water content and preparation method thereof 凯斯科技股份有限公司 2022-12-30 CN disclosed
CN-112831206-A Inorganic oxide dispersion with controllable water content and preparation method thereof 凯斯科技股份有限公司 2021-05-25 CN disclosed