SCHEMBL7119674

SCHEMBL7119674

C=CCOc1cccc2c3ccccc3c3ccccc3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2A6 P11509 1/20 0.47
LIG1 P18858 1/20 0.46
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SETDB1 Q15047 1/20 0.41
SLC22A1 O15245 1/20 0.41
LMNA P02545 1/20 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
SCHEMBL3820470 0.84 CYP3A4 (0.57) HPGDTSHRMAPK1HSD17B10CA12
SCHEMBL6560676 0.81 CA12 (0.60) HPGDTSHRMAPK1HSD17B10CA12
1,2-Diallyloxybenzene SCHEMBL366516 0.81 HPGD (0.60) HPGDTSHRMAPK1HSD17B10CA12
1,2-Diallyloxybenzene SCHEMBL29768784 0.81 HPGD (0.60) HPGDTSHRMAPK1HSD17B10CA12
SCHEMBL4371294 0.81 HPGD (0.56) HPGDTSHRMAPK1HSD17B10CA12
SCHEMBL3822715 0.80 HPGD (0.51) HPGDTSHRMAPK1HSD17B10CA12
SCHEMBL1731197 0.80 ADRB2 (0.50) HPGDTSHRMAPK1HSD17B10CA12
SCHEMBL3820950 0.79 HPGD (0.54) HPGDTSHRMAPK1HSD17B10CA12
Ethylene SCHEMBL3362752 0.79 HPGD (0.55) HPGDTSHRMAPK1HSD17B10CA12
Water SCHEMBL21694712 0.79 HPGD (0.55) HPGDTSHRMAPK1HSD17B10CA12

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-0883802-B1 SENSING DEVICE UNIV LEEDS (GB) 2003-05-14 EP claimed
EP-1159649-A1 ELECTRON BEAM RESIST National Institute of Advanced Industrial Science and Technology (JP) 2001-12-05 EP claimed
WO-2000036469-A1 ELECTRON BEAM RESIST NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2000-06-22 WO claimed