SCHEMBL13655263

SCHEMBL13655263

BCCCCCC(=O)Nc1ccccc1-c1cnc(N)n1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.40
HDAC3 O15379 15/20 0.40
HDAC2 Q92769 11/20 0.40
HDAC10 Q969S8 10/20 0.40
HDAC6 Q9UBN7 9/20 0.40
HDAC4 P56524 7/20 0.40
HDAC7 Q8WUI4 7/20 0.40
HDAC11 Q96DB2 7/20 0.40
HDAC8 Q9BY41 7/20 0.40
HDAC9 Q9UKV0 7/20 0.40
HDAC5 Q9UQL6 7/20 0.40
NCOR2 Q9Y618 4/20 0.40
SOAT1 P35610 2/20 0.40
HTT P42858 1/20 0.36

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
SCHEMBL4232425 0.92 SOAT1 (0.50) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL4064015 0.91 HDAC1 (0.40) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL4066145 0.79 HDAC1 (0.41) HDAC1HDAC3HDAC2
SCHEMBL4236771 0.77 SOAT1 (0.59) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL4059594 0.77 ALDH1A1 (0.47) HDAC1HDAC3HDAC2HTT
SCHEMBL4056220 0.76 HDAC1 (0.47) HDAC1HDAC3HDAC2HTT
SCHEMBL4237117 0.75 SMARCA2 (0.40) HDAC1
SCHEMBL4240863 0.75 PLK1 (0.47)
SCHEMBL4064859 0.74 RAB9A (0.47) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL4055538 0.74 HDAC8 (0.44) HDAC1HDAC3HDAC2HDAC10HDAC6

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-2009123753-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-08 WO disclosed