SCHEMBL9528212

SCHEMBL9528212

CCCCCCCCc1cnc(-c2ccc(OC[C@H]3COC(=O)O3)cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.49
RAB9A P51151 7/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 5/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAPK1 P28482 1/20 0.36
PLA2G4A P47712 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
SCHEMBL9528215 1.00 RARB (0.49) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL3992298 0.87 THRB (0.43) SMN1; SMN2HSD17B10MEN1KMT2AUSP2
SCHEMBL8913819 0.80 RARB (0.46) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9525248 0.80 RARB (0.39) RARBMAPTKDM4EMEN1KMT2A
SCHEMBL9528031 0.79 RARB (0.46) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9528028 0.79 RARB (0.46) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9525985 0.78 PTGES (0.38) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9274067 0.78 RARB (0.47) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9528232 0.78 RARB (0.47) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL7506274 0.77 RARB (0.51) RARBRAB9AMAPTSMN1; SMN2KDM4E

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