SCHEMBL8637600

SCHEMBL8637600

C=CCOc1ccccc1-c1ccccc1[O]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.47
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTPRC P08575 1/20 0.45
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
GCGR P47871 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ADRB2 P07550 2/20 0.39

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
SCHEMBL7764770 0.89 HPGD (0.55) LIG1TSHRHPGDMAPK1HSD17B10
SCHEMBL3683087 0.85 LIG1 (0.53) LIG1TSHRHPGDMAPK1HSD17B10
SCHEMBL6663936 0.80 HTR7 (0.53) LIG1TSHRHPGDMAPK1HSD17B10
SCHEMBL28547491 0.79 HPGD (0.46) LIG1TSHRHPGDMAPK1HSD17B10
SCHEMBL28538424 0.79 MAPT (0.50) LIG1TSHRHPGDMAPK1HSD17B10
1,2-Diallyloxybenzene SCHEMBL366516 0.78 HPGD (0.60) LIG1TSHRHPGDMAPK1HSD17B10
1,2-Diallyloxybenzene SCHEMBL29768784 0.78 HPGD (0.60) LIG1TSHRHPGDMAPK1HSD17B10
SCHEMBL515196 0.78 ADRB2 (0.59) LIG1TSHRHPGDMAPK1HSD17B10
SCHEMBL8636475 0.76 CA12 (0.46) MAPK1PTPRCALDH1A1CA12CA1
SCHEMBL8637602 0.75 LIG1 (0.44) LIG1TSHRHPGDMAPK1HSD17B10

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-5747604-A CROSSLINKABLE POLYMERS FOR FILMS, POLYSTYRENE, POLYMETHYL METHACRYLATE, POLYACRYLONITRILE, POLYACRYLIC ACID AND POLYDIMETHYLSILOXANE THE PENN STATE RESEARCH FOUNDATION (US) 1998-05-05 US disclosed