SCHEMBL10538989

SCHEMBL10538989

C=CCOc1ccc(-c2ccc(OC(C)=O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.53
▸ LMNA P02545 3/20 0.47
▸ MAPT P10636 5/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ BACE1 P56817 1/20 0.45
▸ PKM P14618 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TTR P02766 1/20 0.42
▸ CYP3A4 P08684 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
SCHEMBL5049713 0.95 LMNA (0.52) HSD17B10LMNAMAPTNPC1RAB9A
SCHEMBL7776949 0.86 NPC1 (0.50) HSD17B10LMNAMAPTNPC1RAB9A
SCHEMBL19724336 0.85 THRB (0.50) LMNAMAPTNPC1RAB9APOLB
SCHEMBL7531617 0.84 NPC1 (0.48) LMNAMAPTNPC1RAB9APOLB
SCHEMBL10541266 0.83 L3MBTL1 (0.56) LMNAMAPTNPC1RAB9APOLB
SCHEMBL29325164 0.83 NPC1 (0.47) HSD17B10LMNAMAPTNPC1RAB9A
SCHEMBL29168891 0.82 CA12 (0.51) LMNAMAPTNPC1RAB9APOLB
SCHEMBL9065504 0.82 CA12 (0.57) LMNAMAPTNPC1RAB9APOLB
SCHEMBL472165 0.82 CA12 (0.57) LMNAMAPTNPC1RAB9APOLB
SCHEMBL6942993 0.81 ADRB2 (0.43) MAPTNPC1RAB9APOLBSMN1; SMN2

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-4834907-A STABLE, HIGH RESPONSE RATE CHISSO CORPORATION (JP) 1989-05-30 — — US disclosed
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