SCHEMBL21097797

SCHEMBL21097797

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(-c4ccc(C)cc4)cc3)c(CC)c2)cc(CCCOC(=O)C(=C)C)c1OCCC(CO)CO

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
TSHR P16473 2/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL21098017 0.98 POLB (0.32) POLBAPEX1HTTTDP1CA1
SCHEMBL18646771 0.98 POLB (0.32) POLBAPEX1HTTTDP1CA1
SCHEMBL21043294 0.95 IDO1 (0.31) POLBAPEX1HTTTDP1CA1
SCHEMBL21115623 0.94 POLB (0.36) POLBAPEX1HTTTDP1CA1
SCHEMBL21098016 0.94 POLB (0.36) POLBAPEX1HTTTDP1CA1
SCHEMBL18646514 0.93 IDO1 (0.35) POLBAPEX1HTTTDP1CA1
SCHEMBL22540661 0.93 IDO1 (0.31) IDO1
SCHEMBL18645799 0.91 POLB (0.32) POLBAPEX1HTTTDP1CA1
SCHEMBL17070527 0.91 POLB (0.32) POLBAPEX1HTTTDP1TSHR
SCHEMBL18647072 0.91 POLB (0.32) POLBAPEX1HTTTDP1TSHR

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