SCHEMBL9954138

SCHEMBL9954138

C=CCCC(C)=CCCC(C)=CCCC(=C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.53
KMT2A Q03164 3/20 0.50
ALOX15 P16050 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 1/20 0.45
UGT1A1 P22309 1/20 0.45
SQLE Q14534 7/20 0.43
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL9955815 1.00 LSS (0.53) LSSKMT2AALOX15MAPTMEN1
SCHEMBL9955703 1.00 LSS (0.53) LSSKMT2AALOX15MAPTMEN1
SCHEMBL9956466 1.00 LSS (0.53) LSSKMT2AALOX15MAPTMEN1
SCHEMBL9955706 1.00 LSS (0.53) LSSKMT2AALOX15MAPTMEN1
SCHEMBL9954133 1.00 LSS (0.53) LSSKMT2AALOX15MAPTMEN1
SCHEMBL9955818 1.00 LSS (0.53) LSSKMT2AALOX15MAPTMEN1
SCHEMBL9956468 1.00 LSS (0.53) LSSKMT2AALOX15MAPTMEN1
SCHEMBL42883 0.85
SCHEMBL10885252 0.84 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL11154898 0.84 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468703-B1 Method for ethenolysis of polyterpenes TECH UNIVERSITÄT DARMSTADT (DE) 2015-04-15 EP disclosed
WO-2012085013-A1 METHOD FOR THE ETHENOLYSIS OF POLYTERPENES AND DECOMPOSITION PRODUCTS OBTAINABLE THEREFROM Technische Universität Darmstadt (DE) 2012-06-28 WO disclosed
EP-2468703-A1 Method for ethenolysis of polyterpenes and decomposition products derived from same Technische Universität Darmstadt (DE) 2012-06-27 EP disclosed