SCHEMBL18645800

SCHEMBL18645800

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccccc3)cc2C)cc(CCCOC(=O)C(=C)C)c1OCCC(CO)CO

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
IDO1 P14902 2/20 0.32
SLC2A1 P11166 1/20 0.32
DGAT1 O75907 1/20 0.31
CYP2C9 P11712 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
EGFR P00533 1/20 0.31
MMP2 P08253 2/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
MMP14 P50281 1/20 0.30
MCL1 Q07820 1/20 0.30
SLC6A9 P48067 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
SCHEMBL18645799 0.94 POLB (0.32) POLBAPEX1HTTTDP1IDO1
SCHEMBL18646772 0.92 POLB (0.34) POLBAPEX1HTTTDP1PPARG
SCHEMBL18645798 0.91 RARB (0.32) POLBAPEX1HTTTDP1PPARG
SCHEMBL21098137 0.91 POLB (0.38) POLBAPEX1HTTTDP1CA1
SCHEMBL18647057 0.91 RARB (0.35) POLBAPEX1HTTTDP1IDO1
SCHEMBL21116077 0.91 IDO1 (0.31) POLBAPEX1HTTTDP1IDO1
SCHEMBL18646512 0.90 IDO1 (0.33) POLBAPEX1HTTTDP1PPARG
SCHEMBL18647056 0.90 RARB (0.38) POLBAPEX1HTTTDP1IDO1
SCHEMBL18647058 0.89 RARB (0.41) IDO1PPARD
SCHEMBL20286029 0.88 RARB (0.43) POLBAPEX1HTTTDP1IDO1

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