SCHEMBL8098083

SCHEMBL8098083

COc1ccc(CCNC(=O)C2(C(=O)N[C@@H](CCCNC(=N)N)B(O)O)CCCC2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B1 P14061 1/20 0.43
HSD11B1 P28845 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
EPHX1 P07099 1/20 0.41
GAA P10253 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FPR3 P25089 1/20 0.41
NAMPT P43490 1/20 0.40

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
SCHEMBL8098230 1.00 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HSD17B1HSD11B1CA1
SCHEMBL7426652 0.92 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1CA1CA2CA9
SCHEMBL8083534 0.87 CA12 (0.52) SMN1; SMN2ALDH1A1HSD17B1HSD11B1CA1
SCHEMBL7433719 0.86 F2 (0.43)
SCHEMBL7433728 0.86 F2 (0.43)
SCHEMBL7442390 0.83 CA1 (0.41) SMN1; SMN2ALDH1A1CA1CA2CA9
SCHEMBL7443096 0.82 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1CA1CA2CA9
SCHEMBL7435478 0.80 F2 (0.41) CA1CA2CA9CA12CA7
SCHEMBL7435474 0.80 F2 (0.41) CA1CA2CA9CA12CA7
SCHEMBL7438592 0.79 F2 (0.40)

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-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP claimed