SCHEMBL5485838

SCHEMBL5485838

C=CCOc1cc2c(cc1O)c1cc(OCC=C)c(OCC=C)cc1c1cc(OCC=C)c(OCC=C)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 4/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
TP53 P04637 1/20 0.38
LIG1 P18858 1/20 0.37
KDM4E B2RXH2 2/20 0.36
PTGS1 P23219 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX5 P09917 1/20 0.36
AR P10275 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
LMNA P02545 2/20 0.35
PTGS2 P35354 1/20 0.35
CYP2A6 P11509 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
SCHEMBL5359558 0.87 CA12 (0.44) TSHRGAAHPGDMAPK1HSD17B10
SCHEMBL2522641 0.78 TSHR (0.49) TSHRGAAHPGDMAPK1HSD17B10
SCHEMBL6707110 0.76 MAOB (0.50) TSHRGAAHPGDMAPK1HSD17B10
SCHEMBL20537236 0.76 HPGD (0.47) TSHRGAAHPGDMAPK1HSD17B10
SCHEMBL7258665 0.74 ALDH1A1 (0.42) TSHRGAAHPGDMAPK1HSD17B10
SCHEMBL17861605 0.73 ALDH1A1 (0.41) TSHRGAAHPGDMAPK1HSD17B10
SCHEMBL31536977 0.73 ALDH1A1 (0.45) TSHRGAAHPGDMAPK1HSD17B10
SCHEMBL5210543 0.73 HPGD (0.58) TSHRGAAHPGDMAPK1HSD17B10
SCHEMBL17848515 0.73 MAPT (0.48) TSHRGAAHPGDMAPK1HSD17B10
SCHEMBL20136050 0.72 TSHR (0.40) TSHRGAAHPGDMAPK1HSD17B10

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
US-20070111027-A1 Light-emitting organic materials NATIONAL SCIENCE FOUNDATION 2007-05-17 US disclosed