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SCHEMBL11049017

SCHEMBL11049017

CCC(C)(C)c1ccc(OCCCCOc2ccc(S(=O)(=O)c3ccc(OCCCCOc4ccc(C(C)(C)CC)cc4)cc3-c3ccc(O)cc3)c(-c3ccc(O)cc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HRH3 Q9Y5N1 17/20 0.44
▸ MAOB P27338 5/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL11047779 0.90 MEN1 (0.43) CYP3A4SMN1; SMN2HRH3MAOBMEN1
SCHEMBL11046690 0.88 NR5A1 (0.43) CYP3A4SMN1; SMN2HRH3MAOBMEN1
SCHEMBL11049235 0.88 NR5A1 (0.43) CYP3A4SMN1; SMN2HRH3MAOBMEN1
SCHEMBL11046970 0.85 GAA (0.58) MAOBMEN1NPC1ALDH1A1GAA
SCHEMBL338282 0.84 NR5A1 (0.57) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL11068583 0.84 NR5A1 (0.57) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL11046793 0.84 NR5A1 (0.57) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL338846 0.84 NR5A1 (0.57) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL11045695 0.84 NR5A1 (0.57) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL26136117 0.83 GAA (0.51) MAOBMEN1NPC1ALDH1A1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4446209-A Heat-sensitive recording materials FUJI PHOTO FILM CO., LTD. (JP) 1984-05-01 — — US disclosed