SCHEMBL8613334

SCHEMBL8613334

[CH2]c1ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc2cccc3cc4ccccc4cc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.51
HDAC4 P56524 14/20 0.51
HDAC2 Q92769 14/20 0.51
HDAC3 O15379 13/20 0.51
HDAC6 Q9UBN7 13/20 0.51
HDAC10 Q969S8 12/20 0.51
HDAC7 Q8WUI4 12/20 0.51
HDAC11 Q96DB2 12/20 0.51
HDAC8 Q9BY41 12/20 0.51
HDAC9 Q9UKV0 12/20 0.51
HDAC5 Q9UQL6 12/20 0.51
NCOR2 Q9Y618 3/20 0.49
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.45
BRD4 O60885 1/20 0.45
NCOR1 O75376 1/20 0.45
NR1I2 O75469 1/20 0.45

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
SCHEMBL8668783 0.89 HDAC4 (0.59) HDAC1HDAC4HDAC2HDAC3HDAC6
SCHEMBL9815030 0.82 EP300 (0.60) HDAC1HDAC4HDAC2HDAC3HDAC6
SCHEMBL9815026 0.80 ALDH1A1 (0.51) HDAC1HDAC4HDAC2HDAC3HDAC6
SCHEMBL8585476 0.78 HDAC4 (0.70) HDAC1HDAC4HDAC2HDAC3HDAC6
SCHEMBL9815029 0.77 ALDH1A1 (0.54) HDAC1HDAC4HDAC2HDAC3HDAC6
SCHEMBL9815043 0.76 CYP1A2 (0.57) HDAC1HDAC6HDAC7HDAC8SMN1; SMN2
SCHEMBL8587363 0.74 HDAC1 (0.75) HDAC1HDAC4HDAC2HDAC3HDAC6
SCHEMBL8589106 0.74 HDAC1 (0.73) HDAC1HDAC4HDAC2HDAC3HDAC6
SCHEMBL13972704 0.73 CYP1A2 (0.43) HDAC1HDAC4HDAC2HDAC3HDAC6
SCHEMBL8579316 0.73 TERT (0.57) HDAC1HDAC4HDAC2HDAC3HDAC6

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