SCHEMBL29956763

SCHEMBL29956763

CCOc1ccc(C)cc1B(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
POLB P06746 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TSHR P16473 3/20 0.44
KDM4E B2RXH2 1/20 0.44
DHFR P00374 1/20 0.40
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
KCNMA1 Q12791 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
SCHEMBL1490739 1.00 MAPT (0.45) MAPTL3MBTL1POLBRAB9AALDH1A1
SCHEMBL16687429 0.86 MEN1 (0.38) MAPTL3MBTL1POLBRAB9AALDH1A1
SCHEMBL3317396 0.85 MAPT (0.48) MAPTL3MBTL1POLBRAB9AALDH1A1
SCHEMBL2140990 0.85 MAPT (0.45) MAPTL3MBTL1POLBRAB9AALDH1A1
SCHEMBL15331983 0.84 L3MBTL1 (0.41) MAPTL3MBTL1POLBRAB9AALDH1A1
SCHEMBL3318133 0.84 KDM4E (0.45) MAPTL3MBTL1POLBRAB9AALDH1A1
SCHEMBL29956845 0.82 MAPT (0.50) MAPTL3MBTL1RAB9AALDH1A1ATM
SCHEMBL2703903 0.81 ACHE (0.39) MAPTL3MBTL1POLBRAB9AALDH1A1
SCHEMBL29951021 0.81 ACHE (0.39) MAPTL3MBTL1POLBRAB9AALDH1A1
SCHEMBL29955818 0.81 GAA (0.49) MAPTL3MBTL1ALDH1A1HPGDTDP1

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