SCHEMBL11230474

SCHEMBL11230474

C=CC(=O)Oc1cccc(CCCCCCCCCc2cccc(OC(=O)C=C)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.55
PPARA Q07869 7/20 0.50
PPARG P37231 5/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
THRA P10827 1/20 0.47
ACHE P22303 2/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL19456776 0.95 THRB (0.53) THRBPPARAPPARGHDAC1HDAC6
SCHEMBL2724431 0.93 THRB (0.68) THRBPPARAPPARGTHRA
SCHEMBL23392587 0.93 THRB (0.68) THRBPPARAPPARGTHRA
SCHEMBL15995743 0.93 THRB (0.68) THRBPPARAPPARGTHRA
SCHEMBL19456770 0.89 THRB (0.59) THRBPPARAPPARGHDAC1HDAC6
SCHEMBL1401869 0.86 THRB (0.67) THRBPPARAPPARGTHRAACHE
SCHEMBL11511884 0.84 FFAR1 (0.51) THRB
SCHEMBL22195192 0.84 THRB (0.56) THRBACHE
SCHEMBL19456881 0.83 THRB (0.58) THRBPPARAPPARGHDAC1HDAC6
SCHEMBL819501 0.82 THRB (0.53) THRBTHRAACHE

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-4320144-A Fungicidal use of diphenyl esters of alkylenes GAF CORPORATION (US) 1982-03-16 US disclosed