SCHEMBL28006129

SCHEMBL28006129

CCOC(=O)/C(C#Cc1cccc2ccccc12)=C/Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
CDC25B P30305 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 5/20 0.37
DHODH Q02127 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
CDC25A P30304 1/20 0.36
CDC25C P30307 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL28006132 1.00 ALDH1A1 (0.39) ALDH1A1HPGDCDC25BMEN1KMT2A
SCHEMBL28005825 0.82 MEN1 (0.43) ALDH1A1MEN1KMT2AMAPTDHODH
SCHEMBL28005802 0.79 VCP (0.43) ALDH1A1MEN1KMT2AMAPTDHODH
SCHEMBL28006082 0.77 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTDHODH
SCHEMBL28006080 0.77 KMT2A (0.44) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL852937 0.76 ALDH1A1 (0.49) ALDH1A1HPGDCDC25BKMT2AKDM4E
SCHEMBL28158769 0.73 SMN1; SMN2 (0.42) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL29749080 0.71 NR4A1 (0.47) ALDH1A1HPGDCDC25BMEN1KMT2A
SCHEMBL7833808 0.71 NR4A1 (0.47) ALDH1A1HPGDCDC25BMEN1KMT2A
SCHEMBL28829235 0.70 MEN1 (0.62) ALDH1A1HPGDMEN1KMT2AMAPT

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-103664625-B 2,3,4,6-tetrasubstituted phenol derivative and preparation method thereof UNIV EAST CHINA NORMAL 2015-04-08 CN disclosed