SCHEMBL9845939

SCHEMBL9845939

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
MAPT P10636 1/20 0.33
MMP2 P08253 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
CFTR P13569 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
SCHEMBL4323913 0.82 G6PD (0.38) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL2769636 0.82 ENPP2 (0.36) MAPTALDH1A1KDM4EHPGD
SCHEMBL7080087 0.79 G6PD (0.53) G6PDCASP7CASP6MAPTMMP2
SCHEMBL30504217 0.79 G6PD (0.58) G6PDCASP7CASP6MAPTMMP2
SCHEMBL11839724 0.79 CD44 (0.42) G6PDCASP7CASP6MAPTALDH1A1
SCHEMBL27775185 0.79 G6PD (0.58) G6PDCASP7CASP6MAPTMMP2
SCHEMBL11845879 0.77 CES2 (0.44) G6PDCASP7CASP6ALDH1A1KDM4E
SCHEMBL28018486 0.76 AKT1 (0.37) G6PDCASP7CASP6MAPTMMP2
SCHEMBL28500557 0.75 CTSD (0.44) MAPTALDH1A1HSD17B10KDM4EHPGD
SCHEMBL11852713 0.73 CA2 (0.45) G6PDCASP7CASP6ALDH1A1KDM4E

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
EP-0424168-A1 Polymer complexes of a sugar response type NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-04-24 EP disclosed