SCHEMBL22868041

SCHEMBL22868041

COC(=O)CCC(=O)c1cccc(C)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 5/20 0.66
WNT3A P56704 5/20 0.66
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
KMT2A Q03164 5/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
PARP1 P09874 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KCNK3 O14649 1/20 0.46
KCNH2 Q12809 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46

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
SCHEMBL30089541 0.88 CTNNB1 (0.70) CTNNB1WNT3AHDAC8HDAC6KMT2A
SCHEMBL29062364 0.88 CTNNB1 (0.70) CTNNB1WNT3AHDAC8HDAC6KMT2A
SCHEMBL1398937 0.86 CTNNB1 (0.56) CTNNB1WNT3AHDAC8HDAC6KMT2A
SCHEMBL27612776 0.85 CTNNB1 (0.60) CTNNB1WNT3AHDAC8HDAC6KMT2A
SCHEMBL3949461 0.85 CTNNB1 (0.60) CTNNB1WNT3AHDAC8HDAC6KMT2A
SCHEMBL22868038 0.84 CTNNB1 (0.48) CTNNB1WNT3AHDAC8HDAC6KMT2A
SCHEMBL11632592 0.83 CTNNB1 (0.52) CTNNB1WNT3AKMT2ALMNAMAPT
SCHEMBL315926 0.82 CTNNB1 (0.54) CTNNB1WNT3AHDAC6KMT2ALMNA
SCHEMBL3588375 0.82 CTNNB1 (0.60) CTNNB1WNT3AHDAC8HDAC6KMT2A
SCHEMBL30416977 0.82 CTNNB1 (0.60) CTNNB1WNT3AHDAC8HDAC6KMT2A

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
WO-2021003295-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2021-01-07 WO disclosed