SCHEMBL14907520

SCHEMBL14907520

C=CC(=O)OCCCOc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.49
▸ KMT2A Q03164 6/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HTT P42858 2/20 0.44
▸ MAPT P10636 3/20 0.44
▸ PRSS1 P07477 1/20 0.43
▸ ACR P10323 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ TSHR P16473 2/20 0.42

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
SCHEMBL12354575 0.97 THRB (0.49) THRBKMT2AMEN1SMN1; SMN2HTT
SCHEMBL22245637 0.97 THRB (0.49) THRBKMT2AMEN1SMN1; SMN2HTT
SCHEMBL16885027 0.97 THRB (0.49) THRBKMT2AMEN1SMN1; SMN2HTT
SCHEMBL103247 0.93 THRB (0.55) THRBKMT2ASMN1; SMN2HTTMAPT
SCHEMBL18470122 0.93 THRB (0.55) THRBKMT2ASMN1; SMN2HTTMAPT
SCHEMBL11917945 0.93 THRB (0.55) THRBKMT2ASMN1; SMN2HTTMAPT
SCHEMBL16885070 0.93 THRB (0.55) THRBKMT2ASMN1; SMN2HTTMAPT
SCHEMBL816208 0.92 THRB (0.54) THRBKMT2ASMN1; SMN2HTTMAPT
SCHEMBL16885050 0.92 THRB (0.54) THRBKMT2AMEN1SMN1; SMN2HTT
SCHEMBL20706567 0.92 THRB (0.54) THRBKMT2AMEN1SMN1; SMN2HTT

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 3 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-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
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