SCHEMBL16167296

SCHEMBL16167296

CC=CC(C)=CCC=C(C)CCC=C(C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
ALOX15 P16050 3/20 0.50
MEN1 O00255 2/20 0.50
CYP3A4 P08684 2/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
UGT1A1 P22309 1/20 0.48
SQLE Q14534 7/20 0.47
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
PGR P06401 1/20 0.46
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL30866989 1.00 KMT2A (0.54) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL29412592 0.85 KMT2A (0.54) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL30362811 0.83 KMT2A (0.57) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL6202023 0.81
SCHEMBL11466302 0.81 KMT2A (0.71) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL1305848 0.81
SCHEMBL1305846 0.81
SCHEMBL11466301 0.81 KMT2A (0.71) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL26131835 0.81
SCHEMBL15849197 0.80 ALDH1A1 (0.52) KMT2AALOX15MEN1CYP3A4ALDH1A1

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