SCHEMBL17484394

SCHEMBL17484394

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
MMP2 P08253 8/20 0.33
MMP3 P08254 5/20 0.33
MMP9 P14780 3/20 0.33
MMP14 P50281 3/20 0.33
MMP13 P45452 2/20 0.33
RARB P10826 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MMP1 P03956 1/20 0.32
THRB P10828 2/20 0.32
PPARG P37231 1/20 0.31
THRA P10827 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
SCHEMBL20412537 0.95 TSHR (0.36) TSHRMMP2MMP3POLBAPEX1
SCHEMBL17070463 0.92 TSHR (0.34) TSHRMMP2MMP3POLBAPEX1
SCHEMBL17484379 0.91 TSHR (0.36) TSHRMMP2MMP3POLBAPEX1
SCHEMBL17070462 0.90 TSHR (0.33) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484456 0.90 RARB (0.34) TSHRMMP2MMP3RARBPOLB
SCHEMBL17070460 0.88 TSHR (0.34) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484453 0.87 POLB (0.42) POLBAPEX1HTTTDP1PPARG
SCHEMBL17070445 0.87 TSHR (0.32) TSHRMMP2MMP3RARBPOLB
SCHEMBL17484401 0.86 PTAFR (0.33) TSHRMMP2MMP3POLBAPEX1
SCHEMBL17484393 0.86 RARB (0.34) TSHRRARBPOLBAPEX1HTT

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