SCHEMBL6270189

SCHEMBL6270189

COc1ccc(OCCCCC2COC(C)(C)O2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PKM P14618 1/20 0.38
ADRA1A P35348 3/20 0.38
MAPK14 Q16539 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ADRA1B P35368 2/20 0.37
DRD3 P35462 2/20 0.37
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
RYR2 Q92736 1/20 0.36
KMT2A Q03164 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL2215555 0.92 MAPK14 (0.43) L3MBTL1PKMADRA1AMAPK14KDM4E
SCHEMBL5766219 0.92 MAPK14 (0.43) L3MBTL1PKMADRA1AMAPK14KDM4E
SCHEMBL14277958 0.85 PPARA (0.42) L3MBTL1TDP1
SCHEMBL7165644 0.84 ALDH1A1 (0.45) MAPTADRA1AMAPK14KDM4EADRA1B
SCHEMBL22013864 0.83 KDM4E (0.40) L3MBTL1TDP1MAPK14KDM4EADRA1B
SCHEMBL22013866 0.83 KDM4E (0.40) L3MBTL1TDP1MAPK14KDM4EADRA1B
SCHEMBL13204672 0.82 PKM (0.51) MAPTTDP1PKMMAPK14KMT2A
SCHEMBL6267008 0.82 PKM (0.51) MAPTTDP1PKMMAPK14KMT2A
SCHEMBL7742520 0.80 ITGB3 (0.38) L3MBTL1MAPTADRA1AMAPK14ADRA1B
SCHEMBL7875746 0.80 L3MBTL1 (0.36) L3MBTL1PKMKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0688784-B1 3'-Modified oligonucleotide derivatives SANOFI AVENTIS DEUTSCHLAND (DE) 2005-12-14 EP disclosed
US-6326487-B1 OLIGONUCLEOTIDES, ANTISENSE AGENTS, VIRICIDES AND GENE EXPRESSION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-04 US disclosed
US-5696248-A GENE EXPRESSION INHIBITOR, AS PROBES FOR DETECTING NUCLEIC ACIDS, AS VIRICIDES TREATING VIRAL DISEASE CAUSED BY HTLV, INFLUENZA, HEPATITIS VIRUS, PAPILLOMA VIRUS HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
EP-0688784-A2 3'-Modified oligonucleotide derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-27 EP disclosed