SCHEMBL19087141

SCHEMBL19087141

COCC(C)(C)C(=O)Cc1ccc(OC)c(OOC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ GAA P10253 5/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ LDHA P00338 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ PKM P14618 1/20 0.40

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
SCHEMBL17709407 0.84 REN (0.46) LMNAHTTNPC1GAAKMT2A
SCHEMBL17709303 0.81 SMPD1 (0.52) NPC1KMT2AMEN1HPGDMTNR1A
SCHEMBL7845389 0.76 LMNA (0.56) LMNAHTTNPC1GAAKMT2A
SCHEMBL19272912 0.74 L3MBTL1 (0.46) LMNAKMT2AMEN1MAPTNFKB1
SCHEMBL19252776 0.74 REN (0.46) LMNAHTTNPC1GAAKMT2A
SCHEMBL17721710 0.73 PPARA (0.38) LMNAHTTKMT2AMEN1MAPT
SCHEMBL17709394 0.73 REN (0.45) LMNAHTTNPC1GAAKMT2A
SCHEMBL17709308 0.73 SMPD1 (0.48) KMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL11050331 0.72 HTT (0.55) LMNAHTTNPC1GAAKMT2A
SCHEMBL16930243 0.71 REN (0.48) LMNAHTTNPC1GAAKMT2A

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
WO-2017114812-A1 COMBINATION THERAPY OF AN HBSAG INHIBITOR AND AN INTERFERON F. HOFFMANN-LA ROCHE AG (CH) 2017-07-06 — — WO disclosed
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