SCHEMBL21115989

SCHEMBL21115989

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3F)cc2CC)ccc1OCC(CC)(CO)CO

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.33
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL21115745 0.97 PPARD (0.33) PPARDS1PR1S1PR3
SCHEMBL21115581 0.96 PPARD (0.30) PPARD
SCHEMBL21232237 0.95 PPARD (0.32) PPARD
SCHEMBL21115840 0.93 FFAR4 (0.30) FFAR4
SCHEMBL21232302 0.93 PPARD (0.32) PPARDS1PR1S1PR3FFAR4
SCHEMBL21115676 0.93 PPARD (0.30) PPARD
SCHEMBL21115841 0.93 PPARD (0.33) PPARDFFAR4
SCHEMBL21231972 0.92 PPARD (0.33) PPARD
SCHEMBL19797019 0.92 PPARD (0.37) PPARDFFAR4
SCHEMBL24429782 0.91 PPARD (0.33) PPARDS1PR1S1PR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3502209-B1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2020-10-14 EP disclosed
EP-3502209-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT Merck Patent GmbH (DE) 2019-06-26 EP disclosed