SCHEMBL8091511

SCHEMBL8091511

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B1 P14061 1/20 0.40
HSD11B1 P28845 1/20 0.40
FPR3 P25089 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
EPHX1 P07099 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NAMPT P43490 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL8083619 0.91 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HSD17B1HSD11B1FPR3
SCHEMBL8098096 0.87 CES2 (0.35) SMN1; SMN2ALDH1A1NAMPTPOLBLMNA
SCHEMBL8091691 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8090119 0.78 CAPN1 (0.33) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL8098063 0.77 CES2 (0.37) ALDH1A1POLBLMNA
SCHEMBL8083534 0.76 CA12 (0.52) SMN1; SMN2ALDH1A1HSD17B1HSD11B1FPR3
SCHEMBL8098083 0.76 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HSD17B1HSD11B1FPR3
SCHEMBL8098230 0.76 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HSD17B1HSD11B1FPR3
SCHEMBL2678930 0.70 KMT2A (0.72) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL7426652 0.70 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1FPR3CA1CA2

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