SCHEMBL11042463

SCHEMBL11042463

[CH2]CCCCCC(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 2/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
GAA P10253 1/20 0.47
CYP3A4 P08684 1/20 0.46

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
SCHEMBL24722331 0.86 MEN1 (0.55) MEN1KMT2AMAPK1POLBSMN1; SMN2
SCHEMBL5841291 0.84 MEN1 (0.53) MEN1KMT2AMAPK1POLBSMN1; SMN2
SCHEMBL7834034 0.84 MEN1 (0.56) MEN1KMT2AMAPK1POLBSMN1; SMN2
SCHEMBL9828028 0.83 MEN1 (0.62) MEN1KMT2AMAPK1POLBSMN1; SMN2
SCHEMBL7835759 0.82 MEN1 (0.58) MEN1KMT2AMAPK1POLBSMN1; SMN2
SCHEMBL7633512 0.81 SMN1; SMN2 (0.46) MEN1KMT2AMAPK1POLBSMN1; SMN2
SCHEMBL9117986 0.81 CTNNB1 (0.63) POLBALDH1A1KDM4ECYP3A4
SCHEMBL10789717 0.81 KMT2A (0.53) MEN1KMT2AMAPK1POLBSMN1; SMN2
SCHEMBL6628602 0.81 POLB (0.61) MEN1KMT2AMAPK1POLBSMN1; SMN2
SCHEMBL8507477 0.81 MEN1 (0.53) MEN1KMT2AMAPK1POLBSMN1; 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