SCHEMBL28036008

SCHEMBL28036008

COc1[c]cc(-c2ccc(F)cc2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
FYN P06241 2/20 0.40
NFE2L2 Q16236 1/20 0.38
KIT P10721 1/20 0.37
HTR2C P28335 1/20 0.37
MAP3K11 Q16584 1/20 0.36
AR P10275 1/20 0.36
TNKS O95271 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ABCB1 P08183 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
AHR P35869 1/20 0.35
SLC10A2 Q12908 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL17239836 0.74 NFE2L2 (0.58) PDGFRBPDGFRAFYNNFE2L2KIT
SCHEMBL29148400 0.72 PDGFRB (0.47) PDGFRBPDGFRAFYNNFE2L2KIT
SCHEMBL27342664 0.71 NPC1 (0.37) PDGFRBPDGFRAFYNNFE2L2HTR2C
SCHEMBL28509155 0.69 ALDH1A1 (0.77) PDGFRBPDGFRAFYNHTR2CALDH1A1
SCHEMBL15605813 0.68 CYP17A1 (0.58) PDGFRBPDGFRANFE2L2HTR2CALDH1A1
SCHEMBL11767130 0.68 NPC1 (0.42) PDGFRBPDGFRANFE2L2ALDH1A1TDP1
SCHEMBL34471590 0.68 HTR2C (0.45) PDGFRBPDGFRAFYNNFE2L2KIT
SCHEMBL17239818 0.67 NFE2L2 (0.50) PDGFRBPDGFRAFYNNFE2L2KIT
SCHEMBL161694 0.67 ACHE (0.44) ALDH1A1CYP3A4
SCHEMBL743497 0.67 CA12 (0.43) NFE2L2ALDH1A1CYP3A4

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
CN-103351341-B A kind of organic metal chelate complex and preparation method thereof and application CHIEN-SHIUNG INSTITUTE OF TECHNOLOGY (CN) 2015-09-09 CN disclosed