SCHEMBL9525240

SCHEMBL9525240

CCCCCCCCOc1ncc(-c2ccc(OC[C@H]3COC(=O)O3)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.36
CYP19A1 P11511 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
PLA2G2A P14555 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL9525248 1.00 RARB (0.39) RARBKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL9525973 0.85 PTGES (0.38) RARBKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL9525985 0.85 PTGES (0.38) RARBKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL9528215 0.80 RARB (0.49) RARBKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL9528212 0.80 RARB (0.49) RARBKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL9524995 0.79 KDM4E (0.38) RARBKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL9525003 0.79 KDM4E (0.38) RARBKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL3992298 0.78 THRB (0.43) ALDH1A1L3MBTL1MEN1KMT2AMAPK1
SCHEMBL9506174 0.77 CYP2D6 (0.57) RARBKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL9506148 0.77 CYP2D6 (0.57) RARBKDM4EALDH1A1HPGDL3MBTL1

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