SCHEMBL17484378

SCHEMBL17484378

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.38
S1PR3 Q99500 4/20 0.38
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FFAR4 Q5NUL3 1/20 0.32
FFAR1 O14842 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL17484380 0.95 S1PR1 (0.39) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17484458 0.94 S1PR1 (0.38) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17484439 0.93 S1PR1 (0.39) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17484382 0.93 S1PR1 (0.34) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17484460 0.90 S1PR1 (0.35) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17477156 0.89 POLB (0.41) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17484438 0.88 S1PR1 (0.40) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17484195 0.88 S1PR1 (0.35) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17484381 0.87 TSHR (0.35) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17484440 0.87 S1PR1 (0.35) S1PR1S1PR3RARB

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