SCHEMBL17484401

SCHEMBL17484401

C=C(C)C(=O)OCCCc1ccc(CCc2ccc(-c3ccc(CCCC(CO)CO)cc3CC)cc2CC)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.33
MMP2 P08253 2/20 0.32
MMP3 P08254 1/20 0.32
TSHR P16473 2/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
THRB P10828 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 0.91 TSHR (0.36) MMP2MMP3TSHRPOLBAPEX1
SCHEMBL17070445 0.88 TSHR (0.32) MMP2MMP3TSHRPOLBAPEX1
SCHEMBL17070463 0.88 TSHR (0.34) MMP2MMP3TSHRPOLBAPEX1
SCHEMBL17484379 0.86 TSHR (0.36) MMP2MMP3TSHRPOLBAPEX1
SCHEMBL17484394 0.86 TSHR (0.33) MMP2MMP3TSHRPOLBAPEX1
SCHEMBL17070462 0.85 TSHR (0.33) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484456 0.85 RARB (0.34) MMP2MMP3TSHRPOLBAPEX1
SCHEMBL17484359 0.85 POLB (0.35) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484436 0.85 RARB (0.36) MMP2MMP3TSHRPOLBAPEX1
SCHEMBL17070451 0.85 PTAFR (0.32) PTAFRMMP2MMP3TSHRPOLB

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