SCHEMBL21043294

SCHEMBL21043294

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C)cc3)cc2CC)cc(CCCOC(=O)C(C)C)c1OCCC(CO)CO

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.31
SRD5A2 P31213 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL18646771 0.97 POLB (0.32) IDO1POLBAPEX1HTTTDP1
SCHEMBL21098017 0.97 POLB (0.32) IDO1POLBAPEX1HTTTDP1
SCHEMBL21097797 0.95 POLB (0.32) IDO1POLBAPEX1HTTTDP1
SCHEMBL18646514 0.92 IDO1 (0.35) IDO1POLBAPEX1HTTTDP1
SCHEMBL22540661 0.91 IDO1 (0.31) IDO1
SCHEMBL18645799 0.90 POLB (0.32) IDO1POLBAPEX1HTTTDP1
SCHEMBL18646772 0.90 POLB (0.34) IDO1SRD5A2POLBAPEX1HTT
SCHEMBL17070527 0.90 POLB (0.32) IDO1POLBAPEX1HTTTDP1
SCHEMBL18647072 0.90 POLB (0.32) POLBAPEX1HTTTDP1
SCHEMBL21098016 0.89 POLB (0.36) IDO1POLBAPEX1HTTTDP1

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-11008515-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2021-05-18 US disclosed
US-20190161679-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-05-30 US disclosed