SCHEMBL7323712

SCHEMBL7323712

[CH2]C/C=C(\C)CC/C=C(\C)CC/C=C/C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
ALOX15 P16050 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 1/20 0.43
UGT1A1 P22309 1/20 0.43
SQLE Q14534 6/20 0.42
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LSS P48449 2/20 0.39

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
SCHEMBL7323717 1.00 KMT2A (0.48) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL7295517 0.96 KMT2A (0.41) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL7295522 0.96 KMT2A (0.41) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL2780073 0.82 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL701611 0.82 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL23452103 0.82 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL2552456 0.82 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL2524503 0.80 KMT2A (0.50) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL28613265 0.80 KMT2A (0.50) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL1219115 0.79 KMT2A (0.68) KMT2AALOX15MAPTMEN1CYP3A4

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
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
US-4845100-A WITH HYPOTENSIVE AND ANTIINFLAMMATORY ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-04 US disclosed
EP-0202760-A2 Carbostyril derivatives and salts thereof, processes for preparing the same and cardiotonic composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-11-26 EP disclosed