SCHEMBL11705342

SCHEMBL11705342

CC(C)=CCCC(C)=CCCC(C)=CCCC(O)=CCCC(C)=CC(C)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
FNTA P49354 3/20 0.49
FNTB P49356 3/20 0.49
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 2/20 0.48
ALDH1A1 P00352 1/20 0.48
UGT1A1 P22309 1/20 0.48
SQLE Q14534 5/20 0.47
KDM4E B2RXH2 2/20 0.46
GGPS1 O95749 1/20 0.42

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
SCHEMBL11305714 1.00 KMT2A (0.53) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL11305075 0.90 KMT2A (0.39) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL1616971 0.87 KMT2A (0.56) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL1617090 0.87 KMT2A (0.56) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL808086 0.87 KMT2A (0.56) KMT2AFNTAFNTBMAPTMEN1
Acetic Acid SCHEMBL11307403 0.85 FNTA (0.41) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL6664660 0.77 KMT2A (0.67) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL17363846 0.77 KMT2A (0.43) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL17363847 0.77 KMT2A (0.43) KMT2AFNTAFNTBMAPTMEN1
SCHEMBL5384704 0.75 KMT2A (0.57) KMT2AFNTAFNTBMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4059641-A ANTIULCER SANKYO COMPANY LIMITED (JA) 1977-11-22 US claimed