SCHEMBL9524685

SCHEMBL9524685

CCCCCCCCOc1cnc(-c2ccc([C@H](O[C@@H](c3ccc(-c4ncc(OCCCCCCCC)cn4)cc3)C3COC(C)(C)O3)C3COC(C)(C)O3)cc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
KDM4E B2RXH2 5/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.38
ACACB O00763 1/20 0.33
RARB P10826 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR1B P28222 1/20 0.32
HTR2B P41595 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9524446 0.90 NPC1 (0.31) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9528039 0.88 RARB (0.45) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10375205 0.88 RARB (0.45) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9524937 0.85 MEN1 (0.45) RAB9AKDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL9525010 0.85 SLC5A2 (0.30)
SCHEMBL9523947 0.81
SCHEMBL9524673 0.78 NPC1 (0.46) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9524670 0.78 NPC1 (0.46) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL8874856 0.75 NPC1 (0.42) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL14570060 0.75 NPC1 (0.42) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10

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