SCHEMBL16167397

SCHEMBL16167397

CCOC(=O)C=CCC=C(C)CCC=C(C)CCC=C(C)C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
ALOX15 P16050 2/20 0.49
FNTA P49354 3/20 0.47
FNTB P49356 3/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.45
ATM Q13315 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
MAPT P10636 3/20 0.44
HCAR2 Q8TDS4 1/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
UGT1A1 P22309 1/20 0.43

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
SCHEMBL16167395 1.00 ALDH1A1 (0.49) ALDH1A1ALOX15FNTAFNTBKMT2A
SCHEMBL16174573 1.00 ALDH1A1 (0.49) ALDH1A1ALOX15FNTAFNTBKMT2A
SCHEMBL15803669 0.89 KMT2A (0.53) ALDH1A1ALOX15FNTAFNTBKMT2A
SCHEMBL10000158 0.89 KMT2A (0.53) ALDH1A1ALOX15FNTAFNTBKMT2A
SCHEMBL17685646 0.84 FNTA (0.50) ALDH1A1ALOX15FNTAFNTBKMT2A
SCHEMBL16174588 0.84 FNTA (0.50) ALDH1A1ALOX15FNTAFNTBKMT2A
SCHEMBL11797547 0.82 FNTA (0.53) ALDH1A1ALOX15FNTAFNTBKMT2A
SCHEMBL14825962 0.82 FNTA (0.53) ALDH1A1ALOX15FNTAFNTBKMT2A
SCHEMBL6061058 0.81 KDM4E (0.55) ALDH1A1ALOX15FNTAFNTBKMT2A
SCHEMBL1564345 0.81 KDM4E (0.55) ALDH1A1ALOX15FNTAFNTBKMT2A

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
WO-2014169055-A9 CROSS METATHESIS OF POLY-BRANCHED POLY-OLEFINS MATERIA, INC. (US) 2015-09-24 WO disclosed
WO-2014169055-A1 CROSS METATHESIS OF POLY-BRANCHED POLY-OLEFINS MATERIA, INC. (US) 2014-10-16 WO disclosed