SCHEMBL21626565

SCHEMBL21626565

CC(C)(C)OCCCC(=O)Nc1ccc(C=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC3 O15379 6/20 0.43
HDAC1 Q13547 6/20 0.43
HDAC2 Q92769 6/20 0.43
HDAC10 Q969S8 6/20 0.43
HDAC11 Q96DB2 6/20 0.43
HDAC8 Q9BY41 6/20 0.43
HDAC6 Q9UBN7 6/20 0.43
HDAC4 P56524 5/20 0.43
HDAC7 Q8WUI4 5/20 0.43
HDAC9 Q9UKV0 5/20 0.43
HDAC5 Q9UQL6 5/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NCOR2 Q9Y618 1/20 0.41
GAA P10253 2/20 0.41

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
SCHEMBL23396951 0.84 HDAC3 (0.60) L3MBTL1KMT2AHDAC3HDAC1HDAC2
SCHEMBL1950782 0.81 HDAC8 (0.46) L3MBTL1MEN1KMT2AHDAC3HDAC1
SCHEMBL2739420 0.79 ALDH1A1 (0.59) MEN1KMT2ACA1CA2MAPT
SCHEMBL28746329 0.78 L3MBTL1 (0.59) L3MBTL1MEN1KMT2AHDAC3HDAC1
SCHEMBL1916615 0.78 POLB (0.56) L3MBTL1MEN1KMT2ACA1CA2
SCHEMBL10879959 0.78 PSMB11 (0.61) L3MBTL1MEN1KMT2ACA1CA2
SCHEMBL21597970 0.77 PSMB11 (0.63) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL10891781 0.77 PSMB11 (0.63) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL9122651 0.77 PSMB11 (0.63) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL3865176 0.77 PSMB11 (0.63) MEN1KMT2AHDAC3HDAC1HDAC2

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-2020015698-A1 METHOD FOR PREPARING COAGULATION FACTOR XIA INHIBITOR AND INTERMEDIATE THEREOF 江苏恒瑞医药股份有限公司 2020-01-23 WO disclosed