SCHEMBL28000798

SCHEMBL28000798

CCC(C)(C)c1ccc(OCC(C)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.55
▸ NPC1 O15118 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ RECQL P46063 1/20 0.47
▸ HRH3 Q9Y5N1 13/20 0.47
▸ MAOB P27338 8/20 0.47
▸ HTT P42858 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ AR P10275 1/20 0.44

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
SCHEMBL28001129 0.85 CYP3A4 (0.61) LMNAMAPTHRH3HTTHIF1A
SCHEMBL7879426 0.85 CYP3A4 (0.61) LMNAMAPTHRH3HTTHIF1A
SCHEMBL31098426 0.85 RECQL (0.52) LMNANPC1MAPTRAB9ARECQL
SCHEMBL28000802 0.85 CYP3A4 (0.61) LMNAMAPTHRH3HTTHIF1A
SCHEMBL2044174 0.84 LMNA (0.60) LMNANPC1MAPTRAB9AMAOB
SCHEMBL376300 0.84 HIF1A (0.61) LMNAMAPTHTTHIF1AAR
SCHEMBL13792030 0.84 LMNA (0.60) LMNANPC1MAPTRAB9AHTT
SCHEMBL15677149 0.83 AR (0.64) LMNANPC1MAPTRAB9ARECQL
SCHEMBL7879429 0.83 LMNA (0.47) LMNAHTTHIF1A
SCHEMBL17024094 0.82 NPC1 (0.45) NPC1MAPTRAB9ARECQLHRH3

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
CN-118666717-A Phenyl ether sulfite compound and preparation method and application thereof 南开大学 2024-09-20 — — CN disclosed
CN-104447792-A Substituted dihydro and tetrahydro oxazolopyrimidinones, preparation and use thereof SANOFI AVENTIS 2015-03-25 — — CN disclosed
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