SCHEMBL21097769

SCHEMBL21097769

C=C(C)C(=O)OCCCc1cc(-c2ccc(C3CCC(C)CC3)cc2)cc(CCCOC(=O)C(=C)C)c1OCCCO

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.37
CNR2 P34972 6/20 0.37
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ESR2 Q92731 1/20 0.32
TSHR P16473 2/20 0.30
HRH3 Q9Y5N1 3/20 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
SCHEMBL21097760 0.92 CNR1 (0.34) CNR1CNR2CA1CA2POLB
SCHEMBL21115604 0.90 CNR1 (0.35) CNR1CNR2CA1CA2POLB
SCHEMBL21098604 0.90 CNR1 (0.35) CNR1CNR2CA1CA2POLB
SCHEMBL21098608 0.89 CNR1 (0.34) CNR1CNR2CA1CA2POLB
SCHEMBL21115449 0.89 CNR1 (0.34) CNR1CNR2CA1CA2POLB
SCHEMBL21098606 0.88 CNR1 (0.35) CNR1CNR2POLBAPEX1HTT
SCHEMBL21115776 0.88 CNR1 (0.33) CNR1CNR2POLBAPEX1HTT
SCHEMBL21115550 0.88 TSHR (0.36) CNR1CNR2CA1CA2POLB
SCHEMBL21097764 0.87 CA1 (0.33) CA1CA2POLBAPEX1HTT
SCHEMBL21098607 0.87 CNR1 (0.36) CNR1CNR2RAB9ATSHR

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