SCHEMBL9528232

SCHEMBL9528232

CCCCCCCCc1cnc(-c2ccc([C@H](O[C@@H](c3ccc(-c4ncc(CCCCCCCC)cn4)cc3)C3COC(=O)O3)C3COC(=O)O3)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.47
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 4/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
STAT3 P40763 1/20 0.34
ATM Q13315 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL10375205 0.80 RARB (0.45) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9528039 0.80 RARB (0.45) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9525992 0.78 GPR84 (0.33) RAB9ASMN1; SMN2MAPTKDM4EMEN1
SCHEMBL9528212 0.78 RARB (0.49) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9528215 0.78 RARB (0.49) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10355038 0.75 RARB (0.48) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10354812 0.75 RARB (0.48) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10354911 0.75 RARB (0.48) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10355329 0.74 RARB (0.47) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10354849 0.74 RARB (0.47) RARBRAB9ASMN1; SMN2MAPTKDM4E

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