SCHEMBL14907483

SCHEMBL14907483

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(CCc3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.46
▸ KMT2A Q03164 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ HTT P42858 2/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ FFAR1 O14842 1/20 0.40

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
SCHEMBL17279039 0.94 THRB (0.51) THRBKMT2AMAPTHTTNPC1
SCHEMBL1072168 0.94 THRB (0.51) THRBKMT2AMAPTHTTNPC1
SCHEMBL13089478 0.94 THRB (0.51) THRBKMT2AMAPTHTTNPC1
SCHEMBL16885027 0.93 THRB (0.49) THRBKMT2AMAPTHTTNPC1
SCHEMBL22245637 0.93 THRB (0.49) THRBKMT2AMAPTHTTNPC1
SCHEMBL25501133 0.93 THRB (0.52) THRBKMT2AMAPTHTTNPC1
SCHEMBL12354575 0.93 THRB (0.49) THRBKMT2AMAPTHTTNPC1
SCHEMBL17364495 0.91 THRB (0.53) THRBKMT2AMAPTHTTNPC1
SCHEMBL14000685 0.91 THRB (0.53) THRBKMT2AMAPTHTTNPC1
SCHEMBL12604124 0.91 THRB (0.50) THRBKMT2AMAPTHTTNPC1

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
Send feedback