SCHEMBL17484387

SCHEMBL17484387

C=C(C)C(=O)OCCOc1ccc(CCc2ccc(-c3ccc(CCC(CO)CO)cc3CC)c(CC)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACACB O00763 4/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LTB4R Q15722 2/20 0.33
THRB P10828 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL17484390 0.94 POLB (0.37) POLBAPEX1HTTTDP1ACACB
SCHEMBL17484453 0.94 POLB (0.42) POLBAPEX1HTTTDP1ACACB
SCHEMBL17484379 0.90 TSHR (0.36) POLBAPEX1HTTTDP1LMNA
SCHEMBL17484391 0.89 POLB (0.38) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL17484444 0.89 RARB (0.39) POLBAPEX1HTTTDP1ACACB
SCHEMBL17070460 0.87 TSHR (0.34) POLBAPEX1HTTTDP1THRB
SCHEMBL20412537 0.85 TSHR (0.36) POLBAPEX1HTTTDP1LMNA
SCHEMBL17070457 0.84 TSHR (0.33) POLBAPEX1HTTTDP1THRB
SCHEMBL17484393 0.84 RARB (0.34) POLBAPEX1HTTTDP1THRB
SCHEMBL17484446 0.84 RARB (0.40) POLBAPEX1HTTTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174955-B1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-10-23 EP disclosed
US-10294426-B2 Liquid crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2019-05-21 US disclosed
US-20180208848-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
US-20180208848-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
WO-2016015803-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed