SCHEMBL28114638

SCHEMBL28114638

CC=C(C)C(=O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.47
RECQL P46063 1/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.44
TTR P02766 1/20 0.44
HPGD P15428 1/20 0.44
AR P10275 1/20 0.43
ESR2 Q92731 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL258556 0.85 ALDH1A1 (0.58) ALDH1A1TDP1L3MBTL1HTTMEN1
SCHEMBL430044 0.85 ALDH1A1 (0.60) ALDH1A1TDP1L3MBTL1HTTMEN1
SCHEMBL31572517 0.85 ALDH1A1 (0.60) ALDH1A1TDP1L3MBTL1HTTMEN1
SCHEMBL2277681 0.84 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1HTTMEN1
Pyruvate SCHEMBL28273673 0.83 ALDH1A1 (0.54) ALDH1A1TDP1L3MBTL1HTTMEN1
SCHEMBL30520310 0.82 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1HTTMEN1
SCHEMBL471777 0.82 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1HTTMEN1
SCHEMBL28793663 0.81 ALDH1A1 (0.60) ALDH1A1TDP1L3MBTL1HTTMEN1
SCHEMBL16504636 0.81 KDM4E (0.42) ALDH1A1TDP1MAPTCYP1A2CYP2C9
SCHEMBL25329772 0.80 ALDH1A1 (0.59) ALDH1A1TDP1L3MBTL1HTTMEN1

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 4 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
CN-106336398-A 2-Saturated cyclosubstituted aniline protein kinase inhibitor 杭州雷索药业有限公司 2017-01-18 CN disclosed