SCHEMBL18645798

SCHEMBL18645798

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(CC)cc3)cc2C)cc(CCCOC(=O)C(=C)C)c1OCCC(CO)CO

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.32
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 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
PPARA Q07869 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
SCHEMBL18647057 0.94 RARB (0.35) RARBPOLBAPEX1HTTTDP1
SCHEMBL18647072 0.94 POLB (0.32) POLBAPEX1HTTTDP1
SCHEMBL18647056 0.93 RARB (0.38) RARBPOLBAPEX1HTTTDP1
SCHEMBL18647058 0.93 RARB (0.41) RARBPPARD
SCHEMBL18645799 0.92 POLB (0.32) POLBAPEX1HTTTDP1
SCHEMBL20286029 0.92 RARB (0.43) RARBPOLBAPEX1HTTTDP1
SCHEMBL18646491 0.92 PPARG (0.33) PPARGPOLBAPEX1HTTTDP1
SCHEMBL18645800 0.91 POLB (0.34) PPARGPPARDPOLBAPEX1HTT
SCHEMBL17070527 0.91 POLB (0.32) POLBAPEX1HTTTDP1
SCHEMBL21116077 0.89 IDO1 (0.31) POLBAPEX1HTTTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11214736-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2022-01-04 US disclosed
US-20180171231-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-06-21 US disclosed
US-20180171231-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-06-21 US disclosed
WO-2017041893-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-03-16 WO disclosed