SCHEMBL8868082

SCHEMBL8868082

O=C(O)CCC(Br)CCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.61
HDAC2 Q92769 4/20 0.61
HDAC3 O15379 3/20 0.61
HDAC8 Q9BY41 3/20 0.61
HDAC6 Q9UBN7 3/20 0.61
HDAC5 Q9UQL6 3/20 0.61
HDAC4 P56524 2/20 0.61
HDAC7 Q8WUI4 2/20 0.61
HDAC10 Q969S8 2/20 0.61
HDAC11 Q96DB2 2/20 0.61
HDAC9 Q9UKV0 2/20 0.61
MAPK1 P28482 1/20 0.61
ADRA1A P35348 1/20 0.61
SLC6A3 Q01959 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
KEAP1 Q14145 1/20 0.55
FFAR1 O14842 4/20 0.52
CPA3 P15088 1/20 0.49

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
SCHEMBL3966888 0.84 HDAC3 (0.53) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1114633 0.80 CPA3 (0.62) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL6465668 0.79 MAPT (0.53) HDAC1HDAC2HDAC3HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL1021513 0.77 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL21219015 0.77 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL1716 0.77 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1858925 0.77 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL11548263 0.77 TET2 (0.44) LMNATSHRGRIK1
SCHEMBL12222240 0.77 GRIK1 (0.54) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL2790330 0.77 KCNH2 (0.46) ADRA1ASLC6A3ALOX5

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
US-5599966-A SUITABLE FOR TREATMENT OF DISEASES OF RESPIRATORY PASSAGES BYK NEDERLAND BV (NL) 1997-02-04 US disclosed