SCHEMBL17484379

SCHEMBL17484379

C=C(C)C(=O)OCCCc1ccc(CCc2ccc(-c3ccc(CCC(CO)CO)cc3CC)c(CC)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRB P10828 2/20 0.35
NAAA Q02083 1/20 0.33
THRA P10827 1/20 0.33
CTSK P43235 1/20 0.31
PPARG P37231 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
MMP2 P08253 2/20 0.30
MMP3 P08254 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL17070460 0.97 TSHR (0.34) TSHRPOLBAPEX1HTTTDP1
SCHEMBL20412537 0.96 TSHR (0.36) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484393 0.94 RARB (0.34) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070457 0.94 TSHR (0.33) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070463 0.93 TSHR (0.34) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484404 0.92 TSHR (0.34) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070447 0.91 TSHR (0.32) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484394 0.91 TSHR (0.33) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070462 0.90 TSHR (0.33) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484456 0.90 RARB (0.34) TSHRPOLBAPEX1HTTTDP1

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