SCHEMBL22083075

SCHEMBL22083075

C=C(C)C(=O)OCCCc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2CC)ccc1OCCOC(=O)C(=C)CO

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
PPARG P37231 5/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 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
SCHEMBL19796640 0.94 TSHR (0.33) TSHRPPARGPPARDPPARA
SCHEMBL19797021 0.92 TSHR (0.32) TSHRPPARGPPARDPPARA
SCHEMBL20171722 0.91 RARA (0.32) TSHRPPARGPPARDPPARA
SCHEMBL19796632 0.90 PPARG (0.33) TSHRPPARGPPARDPPARA
SCHEMBL20313586 0.90 PPARG (0.33) PPARGPPARDPPARA
SCHEMBL22083083 0.90 TSHR (0.34) TSHR
SCHEMBL20171741 0.88 PPARG (0.32) TSHRPPARGPPARDPPARA
SCHEMBL17070423 0.88 PPARD (0.33) TSHRPPARGPPARDPPARA
SCHEMBL19796648 0.88 FPR2 (0.34) TSHRPPARGPPARA
SCHEMBL20171733 0.87 RARA (0.32) TSHRPPARGPPARDPPARA

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
WO-2020116380-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC株式会社 2020-06-11 WO disclosed