SCHEMBL11048063

SCHEMBL11048063

[CH2]CCCCCc1ccc(NC(=O)CCC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
TP53 P04637 1/20 0.57
POLB P06746 1/20 0.56
THRB P10828 4/20 0.56
THRA P10827 3/20 0.56
S1PR1 P21453 1/20 0.54
HPGD P15428 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL3026320 0.90 HPGD (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9850101 0.88 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3016010 0.87 POLB (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9842929 0.86 POLB (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11042575 0.85 HPGD (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25269210 0.83 ENPP2 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27909135 0.83 ENPP2 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8817395 0.82 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6029300 0.82 TP53 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5535347 0.81 THRA (0.54) POLBTHRBTHRAS1PR1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed