SCHEMBL4252855

SCHEMBL4252855

C=CCOc1ccc2ccccc2c1C=C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.71
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 2/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 2/20 0.41

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
SCHEMBL30343666 0.87 HPGD (0.68) HPGDGAAL3MBTL1TDP1POLB
SCHEMBL4266742 0.87 HPGD (0.68) HPGDGAAL3MBTL1TDP1POLB
SCHEMBL6217456 0.85 ALDH1A1 (0.56) HPGDGAAL3MBTL1TDP1POLB
SCHEMBL26208696 0.83 HPGD (0.67) HPGDGAAL3MBTL1TDP1POLB
SCHEMBL3816129 0.81 HPGD (0.60) HPGDGAAL3MBTL1TDP1POLB
SCHEMBL8741161 0.81 L3MBTL1 (0.76) HPGDGAAL3MBTL1TDP1NPC1
SCHEMBL20554560 0.80 HPGD (0.58) HPGDGAAL3MBTL1TDP1POLB
SCHEMBL20537239 0.80 HPGD (0.62) HPGDGAAPOLBCA12CA1
SCHEMBL30618849 0.80 HPGD (0.58) HPGDGAAL3MBTL1POLBNPC1
SCHEMBL29235274 0.80 HPGD (0.58) HPGDGAAL3MBTL1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6005151-A Processs for preparing aromatic olefins using palladacycle catalysis AVENTIS (DE) 1999-12-21 US claimed
WO-2009009597-A1 WATER SOLUBLE OLEFIN METATHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-01-15 WO disclosed
WO-2009009597-A1 WATER SOLUBLE OLEFIN METATHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-01-15 WO disclosed
US-6005151-A Processs for preparing aromatic olefins using palladacycle catalysis AVENTIS (DE) 1999-12-21 US disclosed