SCHEMBL14907441

SCHEMBL14907441

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C#Cc3ccc(CCCCC)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.58
NPC1 O15118 3/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NFKB1 P19838 3/20 0.51
NFKB2 Q00653 3/20 0.51
RELA Q04206 3/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
THRA P10827 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.45
PRSS1 P07477 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
SCHEMBL21339808 1.00 THRB (0.58) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL14907445 0.97 THRB (0.59) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL15855658 0.95 THRB (0.64) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL15855662 0.95 THRB (0.64) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL15855561 0.95 THRB (0.64) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL15855532 0.95 THRB (0.64) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL18328876 0.95 THRB (0.64) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL14085075 0.95 THRB (0.64) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL15855554 0.95 THRB (0.64) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL16885029 0.95 THRB (0.64) THRBNPC1LMNASMN1; SMN2NFKB1

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
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