SCHEMBL4053634

SCHEMBL4053634

CC(C)=CCCC(C)=CCCC1(C)OC1CO

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
CYP3A4 P08684 2/20 0.49
ALOX15 P16050 2/20 0.49
ALDH1A1 P00352 1/20 0.49
UGT1A1 P22309 1/20 0.49
LSS P48449 5/20 0.48
SQLE Q14534 1/20 0.47
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL310618 0.90 LSS (0.35) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL10629087 0.90 LSS (0.35) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11001883 0.90 LSS (0.35) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL9650230 0.90 LSS (0.35) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL31305339 0.84 LSS (0.37) LSS
Tetrahydrothiophene SCHEMBL27901474 0.80 LSS (0.30) LSS
SCHEMBL7762392 0.80 ALDH1A1 (0.42) KMT2AALOX15ALDH1A1LSS
SCHEMBL4583832 0.78 LSS (0.65) LSS
SCHEMBL4583833 0.78 LSS (0.65) LSS
SCHEMBL12591516 0.77 KMT2A (0.47) KMT2AMAPTMEN1CYP3A4ALOX15

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
WO-2009103360-A1 POLYISOPRENOID EPOXIDES USEFUL FOR DECREASING CHOLESTEROL AND/OR INCREASING COENZYME Q BIOSYNTHESIS NEWBIOTECHNIC, S.A. (ES) 2009-08-27 WO disclosed