SCHEMBL25901064

SCHEMBL25901064

CCCCCc1ccc(-c2cc3ccc(OC(C)(C)C(C)(C)O)cc3s2)c(OC(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.36
PPARG P37231 4/20 0.34
PPARA Q07869 4/20 0.34
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
CSNK1D P48730 1/20 0.31
THRB P10828 1/20 0.31
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
STS P08842 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL23395687 0.90 PCSK9 (0.36) PCSK9PPARGPPARAS1PR1S1PR3
SCHEMBL23395721 0.88 PCSK9 (0.34) PCSK9PPARGPPARAS1PR1S1PR3
SCHEMBL21735847 0.88 HTR2A (0.39) PCSK9PPARGPPARACSNK1D
SCHEMBL26292240 0.87 PCSK9 (0.35) PCSK9PPARGPPARAS1PR1S1PR3
SCHEMBL25901353 0.86 PCSK9 (0.36) PCSK9PPARGPPARAS1PR1S1PR3
SCHEMBL21735525 0.84 ESR1 (0.45) PCSK9PPARGPPARAESR1ESR2
SCHEMBL23893545 0.83 PCSK9 (0.35) PCSK9PPARGPPARACSNK1DTHRB
SCHEMBL25896937 0.82 PCSK9 (0.35) PCSK9PPARGPPARAS1PR1S1PR3
SCHEMBL25901069 0.82 PCSK9 (0.35) PCSK9PPARGPPARACSNK1DTHRB
SCHEMBL21735605 0.81 MEN1 (0.37) PCSK9PPARGS1PR1S1PR3

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