SCHEMBL29954030

SCHEMBL29954030

CC(C)(C)OC(=O)Nc1c(B(O)O)cccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
BRD4 O60885 2/20 0.39
CREBBP Q92793 2/20 0.39
PTPN1 P18031 1/20 0.37

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
SCHEMBL28204987 0.82 MEN1 (0.40) HDAC4HDAC1MEN1NPC1GAA
SCHEMBL15627435 0.82 LCK (0.48) MEN1NPC1GAARAB9AKMT2A
SCHEMBL3784350 0.82 BRD9 (0.42) HDAC4HDAC1HDAC3HDAC2HDAC10
SCHEMBL31307595 0.82 HNF4A (0.46) MEN1NPC1GAARAB9AKMT2A
SCHEMBL3780741 0.80 RXFP1 (0.43) MEN1NPC1GAARAB9AKMT2A
SCHEMBL1006953 0.79 NLRP3 (0.43) MEN1NPC1GAARAB9AKMT2A
SCHEMBL29956316 0.79 NLRP3 (0.43) MEN1NPC1GAARAB9AKMT2A
SCHEMBL29246623 0.78 RXFP1 (0.38) MEN1NPC1GAARAB9AKMT2A
SCHEMBL1677060 0.78 ENPP2 (0.45) GAAATRCA12CA1CA7
SCHEMBL28444082 0.77 CHRM3 (0.52) MEN1KMT2ABRD9CHRM2CHRM1

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