SCHEMBL28124128

SCHEMBL28124128

CCC(=O)OCc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAOB P27338 1/20 0.47
MMP1 P03956 1/20 0.46
HTT P42858 1/20 0.46
IDO1 P14902 1/20 0.45
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
GAA P10253 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
SCHEMBL7641621 0.90 ALDH1A1 (0.52) KMT2AALDH1A1HPGDMEN1TDP1
Butane SCHEMBL14935067 0.85 POLB (0.54) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL7565035 0.85 MAPT (0.57) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL2623828 0.84 RXRA (0.47) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL126010 0.84 KMT2A (0.57) KMT2AALDH1A1MEN1SMN1; SMN2TDP1
SCHEMBL18087031 0.84 ALDH1A1 (0.47) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL19020082 0.84 MAPT (0.55) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL27787074 0.84 MAPT (0.56) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL3134365 0.82 ALDH1A1 (0.50) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL24242024 0.81 KMT2A (0.52) MAPTKMT2AKDM4EALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478443-B The method that difluoro Ya Jia Ji Phosphonium inner salts are used to synthesize β keto-amides as new ammonolysis reagent 四川理工学院 2018-04-03 CN claimed
CN-106478443-A The method that difluoro methylene inner salt is used for synthesizing β keto-amide as new ammonolysis reagent 四川理工学院 2017-03-08 CN claimed