SCHEMBL9524658

SCHEMBL9524658

CCCCCCCCSc1ncc(-c2ccc(OCC3COC4(CCCCC4)O3)cc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.38
HTR1A P08908 3/20 0.38
ADRA1B P35368 3/20 0.38
PTGES O14684 2/20 0.35
ALDH1A1 P00352 4/20 0.34
ADRA1A P35348 2/20 0.34
MAPT P10636 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HTT P42858 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PABPC1 P11940 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
HPGD P15428 2/20 0.30

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
SCHEMBL9524654 1.00 ADRA1D (0.38) ADRA1DHTR1AADRA1BPTGESALDH1A1
SCHEMBL9524889 0.86 ADRA1D (0.42) ADRA1DHTR1AADRA1BALDH1A1ADRA1A
SCHEMBL7502807 0.86 ADRA1D (0.42) ADRA1DHTR1AADRA1BALDH1A1ADRA1A
SCHEMBL9524949 0.86 HTR1A (0.40) ADRA1DHTR1AADRA1BALDH1A1ADRA1A
SCHEMBL9524945 0.86 HTR1A (0.40) ADRA1DHTR1AADRA1BALDH1A1ADRA1A
SCHEMBL8876114 0.82 PTGES (0.33) PTGESALDH1A1MAPTKDM4EHTT
SCHEMBL8876108 0.82 PTGES (0.33) PTGESALDH1A1MAPTKDM4EHTT
SCHEMBL9175202 0.80 ADRA1D (0.44) ADRA1DHTR1AADRA1BALDH1A1ADRA1A
SCHEMBL8916677 0.80 KDM4E (0.31) PTGESKDM4EHTTL3MBTL1MEN1
SCHEMBL8916664 0.80 KDM4E (0.31) PTGESKDM4EHTTL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351746-B1 Optically active 1,3-dioxolane derivatives containing a mesogene group in position 4, method for their preparation and their use as doping agents in liquid-crystal mixtures HOECHST AG (DE) 1993-12-29 EP disclosed
EP-0351746-A1 Optically active 1,3-dioxolane derivatives containing a mesogene group in position 4, method for their preparation and their use as doping agents in liquid-crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-24 EP disclosed