SCHEMBL28008995

SCHEMBL28008995

CC(C)=CCCC(C)=CCCC(C)=CCOC/C=C(/C)CCC=C(C)C

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
ALOX15 P16050 3/20 0.62
ALDH1A1 P00352 2/20 0.62
MAPT P10636 2/20 0.61
MEN1 O00255 2/20 0.61
CYP3A4 P08684 2/20 0.61
UGT1A1 P22309 1/20 0.61
SQLE Q14534 3/20 0.59
FNTA P49354 5/20 0.58
FNTB P49356 3/20 0.58
KDM4E B2RXH2 1/20 0.55
PGGT1B P53609 2/20 0.54

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
SCHEMBL6061920 1.00 KMT2A (0.70) KMT2AALOX15ALDH1A1MAPTMEN1
SCHEMBL5320561 1.00 KMT2A (0.70) KMT2AALOX15ALDH1A1MAPTMEN1
SCHEMBL19873084 1.00 KMT2A (0.70) KMT2AALOX15ALDH1A1MAPTMEN1
SCHEMBL11851208 1.00 KMT2A (0.70) KMT2AALOX15ALDH1A1MAPTMEN1
SCHEMBL30531902 1.00 KMT2A (0.70) KMT2AALOX15ALDH1A1MAPTMEN1
SCHEMBL28854298 0.98 KMT2A (0.65) KMT2AALOX15ALDH1A1MAPTMEN1
SCHEMBL3400313 0.98 KMT2A (0.65) KMT2AALOX15ALDH1A1MAPTMEN1
SCHEMBL492962 0.98 KMT2A (0.65) KMT2AALOX15ALDH1A1MAPTMEN1
SCHEMBL27649625 0.98 KMT2A (0.65) KMT2AALOX15ALDH1A1MAPTMEN1
SCHEMBL492960 0.98 KMT2A (0.65) KMT2AALOX15ALDH1A1MAPTMEN1

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
CN-104540503-A Compositions comprising sesterterpenes and their use as antibiotic and antifungal adjuvants RODE PHARMA S R L 2015-04-22 CN disclosed