SCHEMBL21115776

SCHEMBL21115776

C=C(C)C(=O)OCCCc1cc(-c2ccc(C3CCC(C4CCC(C)CC4)CC3)cc2)cc(CCCOC(=O)C(=C)C)c1OCCC(CO)CO

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL21098604 0.97 CNR1 (0.35) CNR1CNR2POLBAPEX1HTT
SCHEMBL21115604 0.97 CNR1 (0.35) CNR1CNR2POLBAPEX1HTT
SCHEMBL21097857 0.94 CNR1 (0.33) CNR1CNR2POLBAPEX1HTT
SCHEMBL21098012 0.92 POLB (0.31) POLBAPEX1HTTTDP1
SCHEMBL21097808 0.92 POLB (0.31) POLBAPEX1HTTTDP1
SCHEMBL21097832 0.91 CNR1 (0.34) CNR1CNR2
SCHEMBL21098603 0.91 CNR1 (0.32) CNR1CNR2
SCHEMBL21097798 0.91 CNR1 (0.32) CNR1CNR2
SCHEMBL21098011 0.90 CNR1 (0.34) CNR1CNR2POLBAPEX1HTT
SCHEMBL21115554 0.90 FFAR4 (0.30) 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