SCHEMBL28305342

SCHEMBL28305342

CC(C)[Si](C(C)C)(C(C)C)n1c(B(O)O)cc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.33
DAO P14920 2/20 0.33
MCL1 Q07820 1/20 0.33
SLC6A2 P23975 1/20 0.32
KMT2A Q03164 3/20 0.31
MAPT P10636 3/20 0.31
MEN1 O00255 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
HTT P42858 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL16136131 0.76 SLC6A2 (0.45) TERTDAOMCL1SLC6A2KMT2A
SCHEMBL17442782 0.75 SLC6A2 (0.34) TERTDAOMCL1SLC6A2KMT2A
SCHEMBL2489091 0.75 MTNR1A (0.35) TERTDAOMCL1SLC6A2KMT2A
SCHEMBL28823996 0.73 SLC6A2 (0.33) TERTDAOMCL1SLC6A2KMT2A
SCHEMBL411586 0.72 DAO (0.50) TERTDAOMCL1KMT2AMAPT
SCHEMBL29955182 0.72 DAO (0.50) TERTDAOMCL1KMT2AMAPT
SCHEMBL2750570 0.69 DAO (0.36) TERTDAOMCL1KMT2AMAPT
SCHEMBL17673127 0.68 CA12 (0.42) KMT2AMAPTMEN1TDP1KDM4E
SCHEMBL18357456 0.67 ALDH1A1 (0.47) MCL1KMT2AMEN1KDM4EALDH1A1
SCHEMBL824096 0.66 LPL (0.38)

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-110003170-A Carboxylic acid ester compounds and their use as herbicides 美国陶氏益农公司 2019-07-12 CN disclosed