SCHEMBL21097795

SCHEMBL21097795

C=C(C)C(=O)OCCCc1cc(-c2ccc(C3CCCCC3)cc2)cc(CCCOC(=O)C(=C)C)c1OCCC(C)(CO)CO

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
PPARG P37231 2/20 0.32
PPARA Q07869 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
APP P05067 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
SCHEMBL21115983 0.96 FFAR4 (0.32) FFAR4CYP3A4CYP2C9CNR1CNR2
SCHEMBL21115449 0.92 CNR1 (0.34) FFAR4CNR1CNR2POLBAPEX1
SCHEMBL21098608 0.92 CNR1 (0.34) FFAR4CNR1CNR2POLBAPEX1
SCHEMBL21097818 0.90 CNR1 (0.33) CNR1CNR2
SCHEMBL21115610 0.87 POLB (0.31) POLBAPEX1HTTTDP1
SCHEMBL21115552 0.87 POLB (0.31) POLBAPEX1HTTTDP1
SCHEMBL21097839 0.87 CNR1 (0.34) FFAR4CNR1CNR2CA1CA2
SCHEMBL21115566 0.86 CNR1 (0.33) FFAR4CNR1CNR2PPARGPPARA
SCHEMBL21097801 0.85 POLB (0.35) POLBAPEX1HTTTDP1CA1
SCHEMBL21098011 0.85 CNR1 (0.34) FFAR4CYP3A4CYP2C9CNR1CNR2

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
US-11072742-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2021-07-27 US disclosed
US-20190185754-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-06-20 US disclosed