SCHEMBL17484380

SCHEMBL17484380

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.39
S1PR3 Q99500 5/20 0.39
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
VDR P11473 1/20 0.32
GRM2 Q14416 1/20 0.32
S1PR4 O95977 1/20 0.31
S1PR5 Q9H228 1/20 0.31
ALDH1A1 P00352 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL17484378 0.95 S1PR1 (0.38) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17484438 0.93 S1PR1 (0.40) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17484460 0.91 S1PR1 (0.35) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17484195 0.89 S1PR1 (0.35) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17484458 0.89 S1PR1 (0.38) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17484439 0.88 S1PR1 (0.39) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL20412536 0.88 POLB (0.40) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17484382 0.88 S1PR1 (0.34) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17477156 0.86 POLB (0.41) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL17484390 0.86 POLB (0.37) S1PR1S1PR3POLBAPEX1HTT

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