SCHEMBL29956001

SCHEMBL29956001

CC(=O)Nc1ccc(B(O)O)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LDHA P00338 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
GLA P06280 1/20 0.47
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
RAB9A P51151 1/20 0.47
TNNC1 P63316 1/20 0.47
RUNX1 Q01196 1/20 0.47
CBFB Q13951 1/20 0.47
CA12 O43570 2/20 0.47

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
SCHEMBL2554377 1.00 ALDH1A1 (0.56) ALDH1A1TDP1SMN1; SMN2HSD17B10HTT
SCHEMBL3323005 0.85 SMN1; SMN2 (0.54) ALDH1A1TDP1SMN1; SMN2HSD17B10HTT
SCHEMBL3785165 0.81 MEN1 (0.51) ALDH1A1TDP1SMN1; SMN2HSD17B10HTT
SCHEMBL29990241 0.80 POLB (0.68) ALDH1A1TDP1SMN1; SMN2HSD17B10HTT
SCHEMBL2336203 0.80 POLB (0.68) ALDH1A1TDP1SMN1; SMN2HSD17B10HTT
SCHEMBL16634474 0.80 TGM2 (0.57)
SCHEMBL3788150 0.78 HTT (0.48) ALDH1A1TDP1SMN1; SMN2HSD17B10HTT
SCHEMBL1889302 0.78 PKM (0.53) ALDH1A1TDP1SMN1; SMN2HSD17B10HTT
SCHEMBL31736749 0.77 CA12 (0.53) ALDH1A1MEN1KMT2AKDM4ECA12
SCHEMBL1899406 0.77 ALDH1A1 (0.59) ALDH1A1TDP1SMN1; SMN2HSD17B10HTT

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed