SCHEMBL28018486

SCHEMBL28018486

C=CC(=O)c1cccc(B(O)O)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.37
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 5/20 0.35
TSHR P16473 1/20 0.35
G6PD P11413 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
CFTR P13569 1/20 0.33
CYP3A4 P08684 2/20 0.33
ALDH5A1 P51649 1/20 0.32
ABAT P80404 1/20 0.32
ENPP2 Q13822 1/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
EGFR P00533 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL2768990 0.82 AKT1 (0.47) AKT1ALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL4323913 0.78 G6PD (0.38) ALDH1A1HSD17B10TSHRG6PDCASP7
SCHEMBL6526138 0.77 G6PD (0.60) AKT1ALDH1A1HSD17B10TSHRG6PD
SCHEMBL1468483 0.77 G6PD (0.55) AKT1ALDH1A1HSD17B10TSHRG6PD
SCHEMBL9845939 0.76 G6PD (0.34) ALDH1A1HSD17B10G6PDCASP7CASP6
Hydrochloric Acid SCHEMBL1451940 0.76 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRCASP7CFTR
SCHEMBL28417111 0.76 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRCASP7CFTR
SCHEMBL14334370 0.76 AKT1 (0.37) AKT1ALDH1A1HSD17B10TSHRCFTR
SCHEMBL3586373 0.73 CA12 (0.38) ALDH1A1HSD17B10G6PDCASP7CASP6
SCHEMBL8387506 0.71 AKT1 (0.53) AKT1ALDH1A1HSD17B10MAPTMEN1

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