SCHEMBL25890199

SCHEMBL25890199

CO/N=C(\C)C(C)(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 2/20 0.40
KCNN4 O15554 2/20 0.38
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
CYP3A4 P08684 1/20 0.36
CES1 P23141 1/20 0.35
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33

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
SCHEMBL3522087 0.82 KCNN4 (0.48) MAPTKMT2AALDH1A1ALOX15MAPK1
SCHEMBL25045929 0.75 MAPT (0.44) MAPTKMT2AALDH1A1ALOX15MAPK1
SCHEMBL11505025 0.71 MAPT (0.56) MAPTKMT2AALDH1A1ALOX15MAPK1
SCHEMBL22337999 0.69 ALDH1A1 (0.37) MAPTALDH1A1MAPK1CYP2C19HIF1A
SCHEMBL2023918 0.67 MAPT (0.52) MAPTKMT2AALDH1A1ALOX15MAPK1
SCHEMBL343807 0.67 MAPT (0.64) MAPTKMT2AALDH1A1ALOX15MAPK1
SCHEMBL24239792 0.67 MAPT (0.52) MAPTKMT2AALDH1A1ALOX15MAPK1
Hydrogen Peroxide SCHEMBL1652477 0.67 MAPT (0.64) MAPTKMT2AALDH1A1ALOX15MAPK1
SCHEMBL728471 0.67 KCNN4 (0.67) MAPTKMT2AALDH1A1ALOX15MAPK1
SCHEMBL213141 0.66 LMNA (0.63) MAPTKMT2AALDH1A1MAPK1LMNA

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
EP-3877372-B1 ENANTIOSELECTIVE REDUCTION OF OXIME-DERIVATIVES INVOLVING IRIDIUM BASED CATALYSTS SYNGENTA CROP PROTECTION AG (CH) 2023-08-02 EP disclosed