SCHEMBL8668783

SCHEMBL8668783

[CH2]c1ccc(NC(=O)CCCCCCCCC(=O)Nc2cccc3ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 8/20 0.59
HDAC3 O15379 8/20 0.59
HDAC1 Q13547 8/20 0.59
HDAC2 Q92769 8/20 0.59
HDAC10 Q969S8 8/20 0.59
HDAC7 Q8WUI4 7/20 0.59
HDAC11 Q96DB2 7/20 0.59
HDAC8 Q9BY41 7/20 0.59
HDAC6 Q9UBN7 7/20 0.59
HDAC9 Q9UKV0 7/20 0.59
HDAC5 Q9UQL6 7/20 0.59
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPT P10636 2/20 0.52
NCOR2 Q9Y618 1/20 0.52
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.49
EP300 Q09472 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 2/20 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
SCHEMBL8613334 0.89 HDAC1 (0.51) HDAC4HDAC3HDAC1HDAC2HDAC10
SCHEMBL12672579 0.82 HDAC1 (0.70) HDAC4HDAC3HDAC1HDAC2HDAC10
SCHEMBL8585476 0.81 HDAC4 (0.70) HDAC4HDAC3HDAC1HDAC2HDAC10
SCHEMBL27909125 0.80 HDAC3 (0.64) HDAC4HDAC3HDAC1HDAC2HDAC10
SCHEMBL31091435 0.79 EP300 (0.66) HDAC4HDAC3HDAC1HDAC2HDAC10
SCHEMBL1193343 0.79 HDAC3 (0.62) HDAC4HDAC3HDAC1HDAC2HDAC10
SCHEMBL1233319 0.78 CYP2C19 (0.82) HDAC4HDAC3HDAC1HDAC2HDAC10
SCHEMBL23048462 0.77 CYP1A2 (0.67) HDAC4HDAC3HDAC1HDAC2HDAC10
SCHEMBL3138344 0.77 CYP1A2 (0.62) HDAC4HDAC3HDAC1HDAC2HDAC10
SCHEMBL8587363 0.77 HDAC1 (0.75) HDAC4HDAC3HDAC1HDAC2HDAC10

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