SCHEMBL6674906

SCHEMBL6674906

C=CC(=O)OCCCC(C)COc1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ THRB P10828 1/20 0.45
▸ RECQL P46063 1/20 0.43
▸ PPARG P37231 4/20 0.42
▸ PPARA Q07869 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ PPARD Q03181 2/20 0.42
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PTPN7 P35236 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM1A O60341 2/20 0.39
▸ CASP1 P29466 1/20 0.39

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
SCHEMBL8044896 0.84 THRB (0.59) RAB9ANPC1THRBPPARGPPARA
SCHEMBL29902172 0.84 THRB (0.59) RAB9ANPC1THRBPPARGPPARA
SCHEMBL16893800 0.84 THRB (0.59) RAB9ANPC1THRBPPARGPPARA
SCHEMBL16893901 0.82 THRB (0.57) RAB9ANPC1THRBPPARGPPARA
SCHEMBL3735961 0.82 THRB (0.57) RAB9ANPC1THRBPPARGPPARA
SCHEMBL16893600 0.82 THRB (0.57) RAB9ANPC1THRBPPARGPPARA
SCHEMBL16893771 0.82 THRB (0.57) RAB9ANPC1THRBPPARGPPARA
SCHEMBL16893713 0.82 THRB (0.57) RAB9ANPC1THRBPPARGPPARA
SCHEMBL632262 0.82 THRB (0.57) RAB9ANPC1THRBPPARGPPARA
SCHEMBL27174609 0.82 THRB (0.57) RAB9ANPC1THRBPPARGPPARA

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
EP-1244756-B1 HIGH REFRACTIVE INDEX PRESSURE-SENSITIVE ADHESIVES 3M INNOVATIVE PROPERTIES CO (US) 2004-10-27 — — EP claimed
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