SCHEMBL8610330

SCHEMBL8610330

[CH2]c1ccc(NC(=O)CCCCCCCCC(=O)Nc2cc(C)cc(C)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 13/20 0.65
HDAC3 O15379 12/20 0.65
HDAC1 Q13547 12/20 0.65
HDAC2 Q92769 12/20 0.65
HDAC10 Q969S8 12/20 0.65
HDAC11 Q96DB2 11/20 0.65
HDAC6 Q9UBN7 11/20 0.65
HDAC4 P56524 9/20 0.65
HDAC7 Q8WUI4 9/20 0.65
HDAC9 Q9UKV0 9/20 0.65
HDAC5 Q9UQL6 9/20 0.65
NCOR2 Q9Y618 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL12371901 0.87 HDAC8 (0.83) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL10474875 0.83 ENPP2 (0.62) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL27600908 0.83 ENPP2 (0.62) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL7834329 0.83 ENPP2 (0.62) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL7835190 0.83 ENPP2 (0.62) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL8585476 0.81 HDAC4 (0.70) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL7129534 0.81 HDAC3 (0.73) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL7835578 0.81 CA1 (0.63) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL8089351 0.79 ALDH1A1 (0.62) L3MBTL1ALDH1A1TP53SMN1; SMN2KDM4E
SCHEMBL8585381 0.79 SIRT1 (0.55) HDAC8HDAC3HDAC1HDAC2HDAC10

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-1998031689-A1 NOVEL MIXED BENZENE ACID DERIVATIVES, METHOD FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1998-07-23 WO disclosed