SCHEMBL6575619

SCHEMBL6575619

C=CCOc1ccccc1C(c1ccccc1OCC=C)C(c1ccccc1OCC=C)c1ccccc1OCC=C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LIG1 P18858 1/20 0.47
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
SLC22A1 O15245 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
HTR1A P08908 1/20 0.45
CYP2D6 P10635 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 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
SCHEMBL5611747 0.88 HPGD (0.50) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL11974252 0.85 ADRB2 (0.50) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL23748169 0.83 TSHR (0.43) HPGDTSHRMAPK1HSD17B10LIG1
1,2-Diallyloxybenzene SCHEMBL366516 0.83 HPGD (0.60) HPGDTSHRMAPK1HSD17B10LIG1
1,2-Diallyloxybenzene SCHEMBL29768784 0.83 HPGD (0.60) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL2150156 0.82 HPGD (0.45) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL5854202 0.82 ADRB2 (0.58) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL24834248 0.80 HPGD (0.41) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL23748235 0.79 DRD2 (0.52) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL7351219 0.79 ADRB2 (0.49) HPGDTSHRMAPK1HSD17B10LIG1

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
EP-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP claimed
US-6646102-B2 Epoxidizing an alpha - halohydrin intermediate produced from a halide substitution of an alpha -dihydroxy derivative which has been obtained by a dihydroxylation reaction of an aryl allyl ether, oxidation catalysts DOW GLOBAL TECHNOLOGIES INC. 2003-11-11 US claimed
US-20030105268-A1 Process for manufacturing an alpha-dihydroxy derivative and epoxy resins prepared therefrom DOW GLOBAL TECHNOLOGIES INC. 2003-06-05 US claimed
US-6087513-A REACTION OF ALLYL ARYL ETHER WITH HYDROGEN PEROXIDE IN THE PRESENCE OF TRANSITION METALS FOR OXIDATION THE DOW CHEMICAL COMPANY (US) 2000-07-11 US claimed