SCHEMBL9528031

SCHEMBL9528031

CCCCCCCCc1cnc(-c2ccc(OCC3COC(C)(C)O3)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.46
RAB9A P51151 6/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 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
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 4/20 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
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 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
SCHEMBL9528028 1.00 RARB (0.46) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9524930 0.93 RAB9A (0.46) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9524925 0.93 RAB9A (0.46) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9524670 0.88 NPC1 (0.46) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9524673 0.88 NPC1 (0.46) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL10811144 0.87 MEN1 (0.43) SMN1; SMN2HSD17B10MEN1USP2ALDH1A1
SCHEMBL9523941 0.84 MAPK14 (0.37) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL9523936 0.84 MAPK14 (0.37) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL8873613 0.80 RARB (0.51) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL8873917 0.80 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