SCHEMBL25901353

SCHEMBL25901353

C=C(C)C(=O)OC(C)(C)C(C)(C)Oc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)sc2c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.36
PPARG P37231 4/20 0.33
PPARA Q07869 4/20 0.33
THRB P10828 2/20 0.32
THRA P10827 1/20 0.31
DYRK1A Q13627 1/20 0.31
CSNK1D P48730 1/20 0.31
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL23893545 0.94 PCSK9 (0.35) PCSK9PPARGPPARATHRBTHRA
SCHEMBL25901069 0.91 PCSK9 (0.35) PCSK9PPARGPPARATHRBTHRA
SCHEMBL23395575 0.87 PCSK9 (0.32) PCSK9THRB
SCHEMBL26291717 0.86 PCSK9 (0.34) PCSK9PPARGPPARATHRBTHRA
SCHEMBL25901064 0.86 PCSK9 (0.36) PCSK9PPARGPPARATHRBCSNK1D
SCHEMBL21735266 0.85 PCSK9 (0.33) PCSK9PPARGPPARATHRBS1PR1
SCHEMBL26291712 0.84 PCSK9 (0.36) PCSK9PPARGPPARATHRBTHRA
SCHEMBL23893466 0.84 PCSK9 (0.32) PCSK9
SCHEMBL26292514 0.84 TSHR (0.41) PCSK9PPARGPPARATHRBTHRA
SCHEMBL21735301 0.83 PCSK9 (0.32) PCSK9

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