SCHEMBL21098608

SCHEMBL21098608

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2)cc(CCCOC(=O)C(=C)C)c1OCCC(C)(CO)CO

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL21115449 1.00 CNR1 (0.34) CNR1CNR2POLBAPEX1HTT
SCHEMBL21097818 0.98 CNR1 (0.33) CNR1CNR2
SCHEMBL21097839 0.94 CNR1 (0.34) CNR1CNR2FFAR4CA1CA2
SCHEMBL21098569 0.94 FFAR4 (0.33) CNR1CNR2FFAR4
SCHEMBL21033684 0.93 FFAR4 (0.33) CNR1CNR2FFAR4
SCHEMBL21097795 0.92 FFAR4 (0.35) CNR1CNR2POLBAPEX1HTT
SCHEMBL21097856 0.92 FFAR4 (0.33) CNR1CNR2FFAR4CA1CA2
SCHEMBL21097840 0.92 FFAR4 (0.35) CNR1CNR2FFAR4
SCHEMBL21115983 0.92 FFAR4 (0.32) CNR1CNR2POLBAPEX1HTT
SCHEMBL21098039 0.92 CYP3A4 (0.35) CNR1CNR2FFAR4

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