SCHEMBL3849532

SCHEMBL3849532

C=CCOc1[c]cccc1OCC=C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LIG1 P18858 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SLC22A1 O15245 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL6945675 0.85 HPGD (0.42) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL15067445 0.81 HPGD (0.33) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL15068016 0.80 TSHR (0.42) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL15068002 0.80 ALDH1A1 (0.43) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL3644175 0.80 MAPT (0.38) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL15067832 0.80 ATM (0.38) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL921324 0.80 HPGD (0.42) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL15066329 0.80 ALDH1A1 (0.40) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL28624043 0.79 GABRA1 (0.37) HPGDTSHRMAPK1HSD17B10ADRA2A
SCHEMBL5889093 0.77 HPGD (0.44) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041388-B1 Substituted poly(arylene vinylenes), process for their preparation and their use in electroluminescent devices SEMICONDUCTORS GMBH (DE) 2006-05-09 US claimed
US-20090318610-A1 ORGANIC INSULATING MATERIALS, VARNISHES FOR ORGANIC INSULATING FILM EMPLOYING THEM, ORGANIC INSULATING FILMS AND SEMICONDUCTOR DEVICES SUMITOMO BAKELITE CO., LTD (JP) 2009-12-24 US disclosed
EP-2117009-A1 ORGANIC INSULATING MATERIAL, VARNISH FOR ORGANIC INSULATING FILM USING THE SAME, ORGANIC INSULATING FILM AND SEMICONDUCTOR DEVICE Sumitomo Bakelite Co., Ltd. (JP) 2009-11-11 EP disclosed
EP-2046768-A1 SYNTHESIS OF 2-AMINO-SUBSTITUTED 4-OXO-4H-CHROMEN-8.YL-TRIFLUORO-METHANESULFONIC ACID ESTERS Kudos Pharmaceuticals Limited (GB) 2009-04-15 EP disclosed
WO-2008009934-A1 SYNTHESIS OF 2-AMINO-SUBSTITUTED 4-OXO-4H-CHROMEN-8.YL-TRIFLUORO-METHANESULFONIC ACID ESTERS KUDOS PHARMACEUTICALS LIMITED (GB) 2008-01-24 WO disclosed