SCHEMBL17477149

SCHEMBL17477149

CCc1cc(CCCO[Si](C)(C)C(C)(C)C)ccc1-c1ccc(CCc2ccc(OCCO)cc2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.38
S1PR3 Q99500 2/20 0.38
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
FFAR4 Q5NUL3 3/20 0.34
PPARG P37231 5/20 0.34
RARB P10826 1/20 0.34
FFAR1 O14842 3/20 0.34
PPARA Q07869 2/20 0.32
VDR P11473 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
SCHEMBL17484377 0.88 POLB (0.37) S1PR1S1PR3PPARGFFAR1PPARA
SCHEMBL17484376 0.87 ESR1 (0.34) ALDH1A1LMNACYP3A4RARB
SCHEMBL17484442 0.86 TDP1 (0.36) PPARGFFAR1PPARA
SCHEMBL17484348 0.84 THRB (0.32) RARB
SCHEMBL28457603 0.76 TBXAS1 (0.36)
SCHEMBL17477156 0.76 POLB (0.41) S1PR1S1PR3MEN1USP2ALDH1A1
SCHEMBL20412536 0.74 POLB (0.40) S1PR1S1PR3MEN1USP2ALDH1A1
SCHEMBL17484389 0.73 MAOB (0.34) S1PR1S1PR3MEN1USP2ALDH1A1
SCHEMBL21507764 0.72 ESR1 (0.36) ALDH1A1LMNACYP3A4RARB
SCHEMBL17484378 0.71 S1PR1 (0.38) S1PR1S1PR3MEN1USP2ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106536679-B Liquid-crystalline medium with homeotropic alignment 默克专利股份有限公司 2020-08-07 CN disclosed
EP-3174955-B1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-10-23 EP disclosed
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-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
US-20180208848-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
EP-3174955-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT Merck Patent GmbH (DE) 2017-06-07 EP disclosed
WO-2016015803-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed
WO-2016015803-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed