SCHEMBL28627286

SCHEMBL28627286

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.50
MAPK1 P28482 1/20 0.49
MAPT P10636 5/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
MAOA P21397 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
GLO1 Q04760 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
GSK3B P49841 1/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL20924853 0.86 MAPT (0.50) MAOBMAPK1MAPTKMT2AMEN1
SCHEMBL15000410 0.82 HTT (0.48) MAOBMAPK1MAPTKMT2AMEN1
SCHEMBL6236528 0.81 GLO1 (0.50) MAOBMAPK1MAPTKMT2AMEN1
SCHEMBL6236523 0.81 GLO1 (0.50) MAOBMAPK1MAPTKMT2AMEN1
SCHEMBL3034223 0.80 GLO1 (0.54) MAOBMAPK1MAPTKMT2AMEN1
SCHEMBL3034226 0.80 GLO1 (0.54) MAOBMAPK1MAPTKMT2AMEN1
SCHEMBL11110091 0.80 MAPK1 (0.54) MAPK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL11110090 0.80 MAPK1 (0.54) MAPK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL478613 0.79 CES1 (0.61) MAPK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL9873850 0.79 ALDH1A1 (0.53) MAPK1MAPTKMT2AMEN1ALDH1A1

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-112691550-A Method for preparing anti-pollution modified ion exchange membrane 中国石油化工股份有限公司 2021-04-23 CN disclosed