SCHEMBL28018484

SCHEMBL28018484

C=CC(=O)c1cccc(B(O)ON)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.46
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
EGFR P00533 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
JAK1 P23458 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37

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
SCHEMBL4323915 0.79 ALDH1A1 (0.41) ALDH1A1MEN1HPGDMAPK1KMT2A
SCHEMBL393305 0.73 SLC7A5 (0.48) ALDH1A1ALOX15HSD17B10TDP1ABCG2
Vinyl Ether SCHEMBL8048323 0.71 AKT1 (0.57) AKT1KDM4EALDH1A1MEN1EGFR
SCHEMBL8000294 0.70 TTR (0.44) TP53HPGDHSD17B10TTR
SCHEMBL6647903 0.70 TSHR (0.45) MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL522374 0.69 ENPP2 (0.43) ALDH1A1SMN1; SMN2HSD17B10ENPP2
SCHEMBL3783933 0.69 ATM (0.52) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL14334371 0.69 ALDH1A1 (0.49) AKT1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL30495832 0.69 AKT1 (0.59) AKT1KDM4EALDH1A1MEN1EGFR
SCHEMBL27810318 0.69 AKT1 (0.59) AKT1KDM4EALDH1A1MEN1EGFR

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-104586752-A Glucose-sensitive self-regulated insulin release micro-gel carrier and preparation method thereof UNIV HUBEI 2015-05-06 CN disclosed