SCHEMBL21098606

SCHEMBL21098606

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
RAB9A P51151 1/20 0.30
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
SCHEMBL21097815 0.98 CNR1 (0.34) CNR1CNR2
SCHEMBL21098589 0.95 CNR1 (0.32) CNR1CNR2
SCHEMBL21098607 0.94 CNR1 (0.36) CNR1CNR2RAB9A
SCHEMBL21098249 0.94 CNR1 (0.34) CNR1CNR2
SCHEMBL21098031 0.94 CNR1 (0.31) CNR1CNR2
SCHEMBL21098598 0.94 CNR1 (0.37) CNR1CNR2RAB9A
SCHEMBL21115555 0.93 CNR1 (0.30) CNR1CNR2
SCHEMBL21097852 0.93 CNR1 (0.32) CNR1CNR2
SCHEMBL21097816 0.92 CNR1 (0.35) CNR1CNR2RAB9A
SCHEMBL21115566 0.92 CNR1 (0.33) 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
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