SCHEMBL28797268

SCHEMBL28797268

C=CC(=O)Oc1ccc(CCCCC)cc1C(C)c1cc(C(C)(C)CC)cc(C(C)(C)CC)c1O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 8/20 0.44
▸ THRA P10827 6/20 0.39
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LTA4H P09960 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PPARA Q07869 3/20 0.32
▸ PPARG P37231 2/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ KAT8 Q9H7Z6 1/20 0.31

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
SCHEMBL28745620 0.88 MAPK1 (0.42) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL28789358 0.86 THRB (0.42) THRBTHRAMEN1KMT2ALTA4H
SCHEMBL312765 0.85 THRB (0.39) THRBTHRA
SCHEMBL30384475 0.85 THRB (0.39) THRBTHRA
SCHEMBL26103041 0.83 THRB (0.38) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL29994023 0.83 THRB (0.38) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL9551630 0.83 THRB (0.39) THRBTHRAPPARG
SCHEMBL28927658 0.82 THRB (0.40) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL28797269 0.82 THRB (0.43) THRBTHRAPPARAPPARGALOX15
SCHEMBL27074426 0.82 THRB (0.39) THRBTHRAPPARG

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
CN-102458830-A Inorganic particle composite and method for producing inorganic particle composite SUMITOMO CHEMICAL CO 2012-05-16 — — CN disclosed
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