SCHEMBL5497869

SCHEMBL5497869

COCCOc1c(C(=O)NCC#Cc2ccc(C(=O)NO)cc2)oc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
RXFP1 Q9HBX9 2/20 0.39
MAPT P10636 4/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK10 P53779 1/20 0.39
L3MBTL1 Q9Y468 2/20 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
SCHEMBL4809855 0.85 HDAC2 (0.52) HDAC2HDAC1HDAC6HDAC8HDAC10
SCHEMBL4814016 0.79 HDAC1 (0.40) HDAC2HDAC1HDAC6HDAC8HDAC10
SCHEMBL5501049 0.78 HDAC6 (0.68) HDAC2HDAC1HDAC6HDAC8HDAC10
Hydrochloric Acid SCHEMBL4813655 0.78 HDAC6 (0.69) HDAC2HDAC1HDAC6HDAC8HDAC10
SCHEMBL4253254 0.77 HDAC3 (0.44) HDAC2HDAC1HDAC6HDAC8HDAC10
SCHEMBL4817430 0.77 HDAC3 (0.49) HDAC2HDAC1HDAC6HDAC8HDAC10
SCHEMBL29749285 0.73 MCL1 (0.46) TP53LMNAL3MBTL1KDM4EHTT
SCHEMBL4813624 0.73 HTT (0.45) HDAC2HDAC1HDAC6HDAC8HDAC10
SCHEMBL4818285 0.72 SOST (0.59) HDAC2HDAC1HDAC6HDAC8HDAC10
SCHEMBL4816497 0.72 HDAC3 (0.46) HDAC2HDAC1HDAC6HDAC8HDAC10

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
EP-1656348-B1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARM INC (US) 2007-02-07 EP claimed