SCHEMBL28045540

SCHEMBL28045540

COC(=O)C=CC=CN(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 3/20 0.56
GAA P10253 2/20 0.56
TDP1 Q9NUW8 4/20 0.53
POLB P06746 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NFE2L2 Q16236 3/20 0.52
HCAR2 Q8TDS4 2/20 0.52
KEAP1 Q14145 1/20 0.52
RECQL P46063 3/20 0.51
CYP2C9 P11712 1/20 0.51
DNMT1 P26358 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.35
CA12 O43570 1/20 0.34

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
SCHEMBL1013020 0.83
SCHEMBL1406175 0.83
SCHEMBL2944118 0.83 NFE2L2 (0.75) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL821014 0.83 NFE2L2 (0.75) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL820946 0.83 NFE2L2 (0.75) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL823097 0.83 NFE2L2 (0.75) MAPTMEN1KMT2AKDM4EGAA
Carbon Monoxide SCHEMBL11053883 0.75 NFE2L2 (0.63) MAPTMEN1KMT2AKDM4ETDP1
Methyl Sorbate SCHEMBL821214 0.73
SCHEMBL13285710 0.73 HCAR2 (0.71) MAPTKDM4EGAATDP1NFE2L2
Methyl Sorbate SCHEMBL14764128 0.73 NFE2L2 (0.60) MAPTMEN1KMT2AKDM4ETDP1

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-103842441-B Iron content (III) complex compound and condensation catalyst, prepare the method for this catalyzer and the composition containing this catalyzer DOW CORNING CORP. (US) 2015-12-23 CN disclosed