SCHEMBL9524949

SCHEMBL9524949

CCCCCCCCc1ncc(-c2ccc(OCC3COC4(CCCCC4)O3)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.40
ADRA1D P25100 3/20 0.40
ADRA1B P35368 3/20 0.40
ADRA1A P35348 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PABPC1 P11940 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 2/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 3/20 0.32
CYP19A1 P11511 2/20 0.32

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
SCHEMBL9524945 1.00 HTR1A (0.40) HTR1AADRA1DADRA1BADRA1AL3MBTL1
SCHEMBL7502807 0.88 ADRA1D (0.42) HTR1AADRA1DADRA1BADRA1AL3MBTL1
SCHEMBL9524889 0.88 ADRA1D (0.42) HTR1AADRA1DADRA1BADRA1AL3MBTL1
SCHEMBL9523941 0.88 MAPK14 (0.37) L3MBTL1RAB9AMAPTALDH1A1KDM4E
SCHEMBL9523936 0.88 MAPK14 (0.37) L3MBTL1RAB9AMAPTALDH1A1KDM4E
SCHEMBL9524658 0.86 ADRA1D (0.38) HTR1AADRA1DADRA1BADRA1AL3MBTL1
SCHEMBL9524654 0.86 ADRA1D (0.38) HTR1AADRA1DADRA1BADRA1AL3MBTL1
SCHEMBL9175202 0.82 ADRA1D (0.44) HTR1AADRA1DADRA1BADRA1AL3MBTL1
SCHEMBL8875181 0.81 SMN1; SMN2 (0.33) MAPTLMNASMN1; SMN2
SCHEMBL8875177 0.81 SMN1; SMN2 (0.33) MAPTLMNASMN1; SMN2

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