SCHEMBL8083619

SCHEMBL8083619

COc1ccc(CCNC(=O)C2(B(O)O[C@H](CCCN)NC=O)CCCC2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B1 P14061 1/20 0.42
HSD11B1 P28845 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
EPHX1 P07099 1/20 0.40
FPR3 P25089 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8091511 0.91 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HSD17B1HSD11B1CA12
SCHEMBL8098063 0.86 CES2 (0.37) ALDH1A1POLBLMNA
SCHEMBL8098096 0.78 CES2 (0.35) SMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL8083627 0.75 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HSD17B1HSD11B1CA12
SCHEMBL7443096 0.68 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1CA1CA2CA9
SCHEMBL8083569 0.67 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL8083534 0.67 CA12 (0.52) SMN1; SMN2ALDH1A1HSD17B1HSD11B1CA12
SCHEMBL8083579 0.66 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL8098083 0.66 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HSD17B1HSD11B1CA12
SCHEMBL8098230 0.66 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HSD17B1HSD11B1CA12

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 2 patents. 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 disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed