SCHEMBL17484445

SCHEMBL17484445

C=C(C)C(=O)OCCOc1ccc(-c2ccc(-c3ccc(CCO)cc3CC)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.42
RARA P10276 1/20 0.42
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FFAR1 O14842 5/20 0.36
FFAR4 Q5NUL3 5/20 0.36
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
THRB P10828 1/20 0.34
LTB4R Q15722 4/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL17484356 0.94 RARB (0.43) RARBRARAPOLBAPEX1HTT
SCHEMBL20412536 0.92 POLB (0.40) RARBRARAPOLBAPEX1HTT
SCHEMBL17484444 0.90 RARB (0.39) RARBRARAPOLBAPEX1HTT
SCHEMBL17484447 0.89 RARB (0.39) RARBRARAPOLBAPEX1HTT
SCHEMBL17484446 0.89 RARB (0.40) RARBRARAPOLBAPEX1HTT
SCHEMBL17484438 0.89 S1PR1 (0.40) RARBRARAPOLBAPEX1HTT
SCHEMBL17484443 0.87 POLB (0.43) RARBRARAPOLBAPEX1HTT
SCHEMBL17484439 0.87 S1PR1 (0.39) RARBRARAPOLBAPEX1HTT
SCHEMBL17477156 0.86 POLB (0.41) RARBRARAPOLBAPEX1HTT
SCHEMBL16982149 0.85 POLB (0.48) RARBRARAPOLBAPEX1HTT

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