SCHEMBL14907503

SCHEMBL14907503

C=CC(=O)OCCCOc1ccc(C#Cc2ccc3cc(OC)ccc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
FFAR1 O14842 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
ACACB O00763 3/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
APP P05067 1/20 0.37
PTGS1 P23219 1/20 0.37
AKR1C3 P42330 1/20 0.37

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
SCHEMBL14907509 0.96 THRB (0.45) THRBTSHRHPGDFFAR1HDAC8
SCHEMBL12437039 0.93 THRB (0.50) THRBTSHRHPGDFFAR1ALDH1A1
SCHEMBL19821125 0.90 THRB (0.52) THRBTSHRHPGDFFAR1ALDH1A1
SCHEMBL15811239 0.90 THRB (0.52) THRBTSHRHPGDFFAR1ALDH1A1
SCHEMBL14907431 0.87 THRB (0.45) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL12437000 0.87 THRB (0.45) THRBTSHRHPGDFFAR1ALDH1A1
SCHEMBL12437036 0.86 THRB (0.42) THRBTSHRHPGDFFAR1ALDH1A1
SCHEMBL18200235 0.86 THRB (0.59) THRBTSHRHPGDFFAR1ALDH1A1
SCHEMBL14907529 0.86 THRB (0.59) THRBTSHRHPGDFFAR1ALDH1A1
SCHEMBL14302569 0.85 THRB (0.45) THRBTSHRHPGDFFAR1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771735-B1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
US-9507185-B2 Switch element comprising a liquid crystalline medium MERCK PATENT GMBH (DE) 2016-11-29 US disclosed
US-9507185-B2 Switch element comprising a liquid crystalline medium MERCK PATENT GMBH (DE) 2016-11-29 US disclosed
US-20140293174-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-10-02 US disclosed
US-20140293174-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-10-02 US disclosed
WO-2013060406-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-05-02 WO disclosed