SCHEMBL9512465

SCHEMBL9512465

CCC(C)COC(=O)c1ccc(OC(C)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.69
▸ ELANE P08246 3/20 0.51
▸ HSD17B10 Q99714 1/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ ADRB2 P07550 4/20 0.46
▸ ADRB1 P08588 4/20 0.46
▸ ADRB3 P13945 4/20 0.46
▸ ACHE P22303 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ AR P10275 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42

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
SCHEMBL10422606 0.96 MAPT (0.64) MAPTELANEHSD17B10KMT2AADRB2
SCHEMBL5368475 0.88 MAPT (0.86) MAPTHSD17B10ADRB2ADRB1ADRB3
SCHEMBL9579629 0.87 ELANE (0.54) MAPTELANEHSD17B10KMT2AADRB2
SCHEMBL9628197 0.87 MAPT (0.52) MAPTELANEHSD17B10KMT2AADRB2
SCHEMBL9628186 0.87 MAPT (0.52) MAPTELANEHSD17B10KMT2AADRB2
SCHEMBL7133911 0.86 MAPT (0.68) MAPTELANEKMT2AADRB2ADRB1
SCHEMBL7133920 0.86 MAPT (0.68) MAPTELANEKMT2AADRB2ADRB1
SCHEMBL1988771 0.86 MAPT (0.71) MAPTHSD17B10KMT2AADRB2ADRB1
SCHEMBL9456360 0.85 MAPT (0.66) MAPTKMT2AADRB2ADRB1ADRB3
SCHEMBL4953172 0.85 MAPT (0.66) MAPTKMT2AADRB2ADRB1ADRB3

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-0344779-B1 Liquid-crystalline organopolysiloxanes TORAY SILICONE CO (JP) 1993-10-20 — — EP disclosed
EP-0344779-A2 Liquid-crystalline organopolysiloxanes TORAY SILICONE COMPANY, LIMITED (JP) 1989-12-06 — — EP disclosed
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