SCHEMBL7953008

SCHEMBL7953008

[CH2]CCCCCC(=O)Nc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
THRB P10828 1/20 0.49
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.49
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 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
SCHEMBL7954376 0.99 KMT2A (0.56) KMT2ASMN1; SMN2THRBALDH1A1L3MBTL1
SCHEMBL7955059 0.94 KMT2A (0.57) KMT2ASMN1; SMN2THRBALDH1A1L3MBTL1
SCHEMBL4588624 0.88 KMT2A (0.59) KMT2ASMN1; SMN2THRBALDH1A1L3MBTL1
SCHEMBL6270349 0.86 KMT2A (0.54) KMT2ASMN1; SMN2THRBALDH1A1L3MBTL1
SCHEMBL7945846 0.84 NPC1 (0.64) KMT2ASMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL13973367 0.84 KMT2A (0.58) KMT2ASMN1; SMN2THRBALDH1A1L3MBTL1
SCHEMBL7945968 0.83 NPC1 (0.66) KMT2ASMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL9128679 0.82 KMT2A (0.57) KMT2ASMN1; SMN2THRBALDH1A1L3MBTL1
SCHEMBL5841851 0.82 KMT2A (0.57) KMT2ASMN1; SMN2THRBALDH1A1L3MBTL1
SCHEMBL7372978 0.82 HDAC3 (0.57) KMT2ASMN1; SMN2THRBALDH1A1MEN1

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 2 patents. 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
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed