SCHEMBL21115566

SCHEMBL21115566

C=C(C)C(=O)OCCCc1cc(-c2ccc(C3CCC(C4CCCCC4)CC3)cc2)cc(CCCOC(=O)C(=C)C)c1OCCC(CC)(CO)CO

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
PPARG P37231 2/20 0.30
FFAR4 Q5NUL3 1/20 0.30
PPARA Q07869 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
SCHEMBL21097815 0.94 CNR1 (0.34) CNR1CNR2
SCHEMBL21098606 0.92 CNR1 (0.35) CNR1CNR2
SCHEMBL21115700 0.92 TSHR (0.31)
SCHEMBL21115982 0.92 TSHR (0.31)
SCHEMBL21115983 0.90 FFAR4 (0.32) CNR1CNR2FFAR4
SCHEMBL21115608 0.90 MMP2 (0.32)
SCHEMBL21097816 0.89 CNR1 (0.35) CNR1CNR2
SCHEMBL21115557 0.89 TSHR (0.33) CNR1CNR2
SCHEMBL21115536 0.89 S1PR1 (0.33) FFAR4
SCHEMBL21097817 0.88 CNR1 (0.36) CNR1CNR2

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