SCHEMBL14907445

SCHEMBL14907445

C=CC(=O)OCCCOc1ccc(C(=O)Oc2ccc(C#Cc3ccc(CCCCC)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.59
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
THRA P10827 6/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
PRSS1 P07477 1/20 0.45
ACR P10323 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL14907441 0.97 THRB (0.58) THRBNPC1LMNACYP1A2CYP3A4
SCHEMBL21339808 0.97 THRB (0.58) THRBNPC1LMNACYP1A2CYP3A4
SCHEMBL6925020 0.94 THRB (0.55) THRBNPC1LMNACYP1A2CYP3A4
SCHEMBL16885034 0.94 THRB (0.64) THRBNPC1LMNACYP1A2CYP3A4
SCHEMBL14907516 0.94 THRB (0.64) THRBNPC1LMNACYP1A2CYP3A4
SCHEMBL12454822 0.93 THRB (0.65) THRBNPC1LMNACYP1A2CYP3A4
SCHEMBL15855656 0.93 THRB (0.65) THRBNPC1LMNACYP1A2CYP3A4
SCHEMBL12734131 0.92 THRB (0.57) THRBNPC1LMNACYP1A2CYP3A4
SCHEMBL15855554 0.92 THRB (0.64) THRBNPC1LMNACYP1A2CYP3A4
SCHEMBL18328876 0.92 THRB (0.64) THRBNPC1LMNACYP1A2CYP3A4

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