SCHEMBL25901012

SCHEMBL25901012

C=CC(=O)OC(C)(C)C(C)(C)Oc1ccc2cc(-c3ccc(CCCCC)cc3CC)oc2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.45
S1PR1 P21453 3/20 0.38
S1PR3 Q99500 1/20 0.38
PPARA Q07869 4/20 0.35
PPARG P37231 3/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
THRA P10827 5/20 0.34
ACHE P22303 2/20 0.33
SRD5A1 P18405 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL23893633 0.93 THRB (0.43) THRBS1PR1S1PR3PPARAPPARG
SCHEMBL23395688 0.91 THRB (0.44) THRBS1PR1S1PR3PPARAPPARG
SCHEMBL25901000 0.89 THRB (0.43) THRBS1PR1S1PR3PPARAPPARG
SCHEMBL25901437 0.89 THRB (0.52) THRBS1PR1S1PR3PPARAPPARG
SCHEMBL23395626 0.89 THRB (0.42) THRBS1PR1S1PR3PPARAPPARG
SCHEMBL23893542 0.86 S1PR1 (0.40) THRBS1PR1S1PR3PPARAPPARG
SCHEMBL23395617 0.85 THRB (0.42) THRBS1PR1S1PR3PTGESALOX5
SCHEMBL23893524 0.85 S1PR1 (0.36) THRBS1PR1S1PR3PPARAPPARG
SCHEMBL25895868 0.85 THRB (0.41) THRBS1PR1S1PR3PPARAPPARG
SCHEMBL26291449 0.84 THRB (0.48) THRBS1PR1S1PR3PTGESALOX5

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-3889135-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-08-02 EP disclosed