SCHEMBL7952948

SCHEMBL7952948

[CH2]CCCCC(=O)Nc1ccccc1OC

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.72
HDAC4 P56524 1/20 0.72
HDAC1 Q13547 1/20 0.72
HDAC7 Q8WUI4 1/20 0.72
HDAC2 Q92769 1/20 0.72
HDAC10 Q969S8 1/20 0.72
HDAC11 Q96DB2 1/20 0.72
HDAC8 Q9BY41 1/20 0.72
HDAC6 Q9UBN7 1/20 0.72
HDAC9 Q9UKV0 1/20 0.72
HDAC5 Q9UQL6 1/20 0.72
ALDH1A1 P00352 3/20 0.65
POLB P06746 1/20 0.65
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
TSHR P16473 2/20 0.60
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 4/20 0.56
HPGD P15428 2/20 0.56

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
SCHEMBL7959669 0.99 HDAC3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7954368 0.95 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7952919 0.89 ALDH1A1 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8180968 0.87 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27909121 0.87 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15480426 0.85 HDAC1 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30444385 0.85 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3589532 0.85 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10961688 0.85 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1061122 0.85 HDAC3 (0.82) HDAC3HDAC4HDAC1HDAC7HDAC2

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-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed