SCHEMBL9524446

SCHEMBL9524446

CCC(C)CCCCCCOc1cnc(-c2ccc([C@H](O[C@@H](c3ccc(-c4ncc(OCCCCCCC(C)CC)cn4)cc3)C3COC(C)(C)O3)C3COC(C)(C)O3)cc2)nc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL9524685 0.90 RAB9A (0.39) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL9524436 0.81 NPC1 (0.37) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL9524444 0.81 NPC1 (0.37) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL10375205 0.78 RARB (0.45) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL9528039 0.78 RARB (0.45) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL9524937 0.76 MEN1 (0.45) RAB9ASMN1; SMN2HSD17B10KDM4EMAPT
SCHEMBL9525010 0.75 SLC5A2 (0.30)
SCHEMBL9239218 0.73 NPC1 (0.57) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL9240109 0.72 NPC1 (0.56) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL10469343 0.72 NPC1 (0.56) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E

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