SCHEMBL17484398

SCHEMBL17484398

C=C(C)C(=O)Oc1ccc(-c2ccc(CCCO)cc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.46
PPARA Q07869 1/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
CYP4A11 Q02928 1/20 0.38
FFAR1 O14842 3/20 0.37
FAAH O00519 2/20 0.37
PTGS2 P35354 1/20 0.37
FFAR4 Q5NUL3 9/20 0.37
APP P05067 1/20 0.37
CYP2C19 P33261 1/20 0.37
ELANE P08246 1/20 0.36

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
SCHEMBL10020856 0.93 RARB (0.44) RARBPPARAS1PR1S1PR3CYP4A11
SCHEMBL17484462 0.93 RARB (0.42) RARBPPARAS1PR1S1PR3FFAR1
SCHEMBL15357798 0.92 RARB (0.53) RARBS1PR1S1PR3FAAHPTGS2
SCHEMBL15121729 0.89 RARB (0.42) RARBS1PR1S1PR3FFAR1FAAH
SCHEMBL15468765 0.88 FFAR1 (0.42) RARBS1PR1S1PR3FFAR1FFAR4
SCHEMBL17484407 0.88 RARB (0.42) RARBS1PR1S1PR3FFAR1FAAH
SCHEMBL18194858 0.87 RARB (0.40) RARBS1PR1S1PR3FFAR1FFAR4
SCHEMBL17484412 0.86 RARB (0.35) RARBPPARAS1PR1S1PR3CYP4A11
SCHEMBL9607902 0.86 ELANE (0.48) PTGS2APPCYP2C19ELANE
SCHEMBL10020925 0.85 PPARA (0.48) RARBPPARACYP4A11PTGS2ELANE

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