SCHEMBL6507841

SCHEMBL6507841

O=C(O)CCN(Cc1ccccc1)Cc1ccc(/C=C/c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.54
HDAC3 O15379 7/20 0.54
HDAC2 Q92769 7/20 0.54
HDAC8 Q9BY41 7/20 0.54
NCOR2 Q9Y618 2/20 0.54
HDAC4 P56524 4/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
HDAC9 Q9UKV0 4/20 0.48
HDAC5 Q9UQL6 4/20 0.48
TRPM8 Q7Z2W7 1/20 0.47
PPARA Q07869 1/20 0.47
ALDH1A1 P00352 1/20 0.46
RORC P51449 1/20 0.45
FFAR1 O14842 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL6507843 1.00 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL6508468 0.89 MEP1B (0.47) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL6508462 0.89 MEP1B (0.47) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL5146175 0.87 HDAC3 (0.62) HDAC1HDAC3HDAC2HDAC8NCOR2
Hydrochloric Acid SCHEMBL28989572 0.85 HDAC3 (0.60) HDAC1HDAC3HDAC2HDAC8NCOR2
Ammonia Solution, Strong SCHEMBL27489179 0.85 HDAC3 (0.60) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL6511912 0.84 HTT (0.45) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL6518342 0.84 HDAC4 (0.49) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL6511915 0.84 HTT (0.45) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL6518341 0.84 HDAC4 (0.49) HDAC1HDAC3HDAC2HDAC8HDAC4

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-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed