SCHEMBL9525003

SCHEMBL9525003

CCCCCCCCOc1ncc(-c2ccc(OCC3COC(C)(C)O3)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK14 Q16539 5/20 0.37
RARB P10826 3/20 0.37
CCNK O75909 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP19A1 P11511 2/20 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
SCHEMBL9524995 1.00 KDM4E (0.38) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9524889 0.88 ADRA1D (0.42) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL7502807 0.88 ADRA1D (0.42) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9523941 0.87 MAPK14 (0.37) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9523936 0.87 MAPK14 (0.37) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9524670 0.85 NPC1 (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9524673 0.85 NPC1 (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9524930 0.84 RAB9A (0.46) KDM4EALDH1A1HPGDL3MBTL1RARB
SCHEMBL9524925 0.84 RAB9A (0.46) KDM4EALDH1A1HPGDL3MBTL1RARB
SCHEMBL9084467 0.83 KDM4E (0.42) KDM4EALDH1A1HPGDHTTL3MBTL1

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