SCHEMBL17484196

SCHEMBL17484196

C=C(C)C(=O)Oc1ccc(CCc2ccc(CCO)cc2CC)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
MAOB P27338 3/20 0.35
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
PTGS2 P35354 1/20 0.34
AKT1 P31749 1/20 0.34
FFAR1 O14842 3/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
PPARA Q07869 1/20 0.33
MAOA P21397 1/20 0.33
BACE1 P56817 1/20 0.33
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 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
SCHEMBL17484357 0.93 PPARA (0.36) ELANEMAOBKMT2AATMAKT1
SCHEMBL17484463 0.87 ELANE (0.35) ELANEMAOBKMT2AATMPTGS2
SCHEMBL20862847 0.85 ELANE (0.46) ELANEMAOBKMT2AATMFFAR1
SCHEMBL17791331 0.84 ELANE (0.44) ELANEKMT2AATMAKT1MAOA
SCHEMBL17484360 0.83 POLB (0.38) MAOBFFAR1CYP4F2CYP4A11MAOA
SCHEMBL17484349 0.81 PTGS2 (0.35) ELANEKMT2AATMPTGS2AKT1
SCHEMBL17484350 0.81 PTGS2 (0.37) ELANEMAOBKMT2AATMPTGS2
SCHEMBL17484412 0.81 RARB (0.35) ELANEMAOBKMT2AATMAKT1
SCHEMBL17484351 0.80 ELANE (0.41) ELANEKMT2AATMPTGS2AKT1
SCHEMBL17484462 0.80 RARB (0.42) ELANEPTGS2FFAR1PPARAS1PR1

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