SCHEMBL11042571

SCHEMBL11042571

[CH2]CCCc1ccccc1NC(=O)CCCCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
CETP P11597 2/20 0.57
SOAT1 P35610 2/20 0.56
EP300 Q09472 1/20 0.51
TSHR P16473 2/20 0.50
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
PLA2G1B P04054 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ATG4B Q9Y4P1 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
SCHEMBL3026316 0.96 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25219320 0.90 CETP (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23060737 0.87 CETP (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29195205 0.84 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25220902 0.83 CETP (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3034142 0.82 MAPK1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26645943 0.81 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5878480 0.80 CETP (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9395051 0.80 CETP (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7475905 0.80 SMN1; SMN2 (0.54) TSHRLMNASMN1; SMN2POLBL3MBTL1

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