SCHEMBL28601429

SCHEMBL28601429

CC=Cc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.67
ABAT P80404 1/20 0.67
EGFR P00533 4/20 0.56
CNR2 P34972 1/20 0.55
ALDH1A1 P00352 5/20 0.53
MAPK1 P28482 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
GPR35 Q9HC97 1/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
POLB P06746 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 7/20 0.50
GSK3B P49841 2/20 0.50
ABL1 P00519 1/20 0.49

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
SCHEMBL28114911 0.86 ALDH5A1 (0.71) ALDH5A1ABATEGFRALDH1A1MAPK1
SCHEMBL11239202 0.83 EGFR (0.72) ALDH5A1ABATEGFRALDH1A1MAPK1
SCHEMBL11851919 0.83 EGFR (0.72) ALDH5A1ABATEGFRALDH1A1MAPK1
SCHEMBL4257372 0.81 PTGS2 (0.66) ALDH5A1ABATEGFRALDH1A1MAPK1
SCHEMBL4257373 0.81 PTGS2 (0.66) ALDH5A1ABATEGFRALDH1A1MAPK1
SCHEMBL244093 0.80 ALDH5A1 (1.00) ALDH5A1ABATEGFRALDH1A1MAPK1
SCHEMBL2785445 0.80 ALDH5A1 (0.63) ALDH5A1ABATEGFRALDH1A1MAPK1
SCHEMBL7166946 0.80 ALDH5A1 (0.63) ALDH5A1ABATEGFRALDH1A1MAPK1
SCHEMBL2785447 0.80 ALDH5A1 (0.63) ALDH5A1ABATEGFRALDH1A1MAPK1
SCHEMBL1493252 0.80 ALDH5A1 (0.58) ALDH5A1ABATEGFRALDH1A1MAPK1

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-113130991-B Electrolyte, battery and formation method 中创新航技术研究院(江苏)有限公司 2022-06-10 CN claimed
CN-113130991-A Electrolyte, battery and formation method 凯博能源科技有限公司 2021-07-16 CN claimed
CN-113130991-B Electrolyte, battery and formation method 中创新航技术研究院(江苏)有限公司 2022-06-10 CN disclosed
CN-113130991-A Electrolyte, battery and formation method 凯博能源科技有限公司 2021-07-16 CN disclosed