SCHEMBL25901437

SCHEMBL25901437

C=CC(=O)OC(C)(C)C(C)(C)Oc1ccc2cc(-c3ccc(CCCCC)cc3)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.52
S1PR1 P21453 3/20 0.44
S1PR3 Q99500 1/20 0.44
THRA P10827 6/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EIF4A1 P60842 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
PPARD Q03181 1/20 0.38
HIF1A Q16665 1/20 0.36
SRD5A1 P18405 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL25901149 0.90 THRB (0.51) THRBS1PR1S1PR3THRAMEN1
SCHEMBL25901012 0.89 THRB (0.45) THRBS1PR1S1PR3THRAMEN1
SCHEMBL23395719 0.88 THRB (0.48) THRBS1PR1S1PR3THRAMEN1
SCHEMBL23893549 0.87 THRB (0.42) THRBS1PR1S1PR3THRAPPARG
SCHEMBL25901000 0.86 THRB (0.43) THRBS1PR1S1PR3THRAMEN1
SCHEMBL23893635 0.85 THRB (0.40) THRBS1PR1S1PR3THRAPPARG
SCHEMBL26292282 0.83 THRB (0.56) THRBS1PR1S1PR3THRAMEN1
SCHEMBL23893633 0.81 THRB (0.43) THRBS1PR1S1PR3THRAMEN1
SCHEMBL24595652 0.81 THRB (0.47) THRBMEN1KMT2AACHE
SCHEMBL23893540 0.81 S1PR1 (0.43) S1PR1S1PR3EIF4A1PPARGPPARA

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