SCHEMBL17301299

SCHEMBL17301299

C=CC(=O)OCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(OC(=O)c5ccc(OCCCOC(=O)C=C)cc5)c(C)c4)c(C)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
PRSS1 P07477 1/20 0.40
ACR P10323 1/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL17301280 0.98 THRB (0.43) THRBKMT2AMAPTPRSS1ACR
SCHEMBL13636994 0.97 TDP1 (0.41) THRBKMT2AMAPTPRSS1ACR
SCHEMBL816012 0.97 THRB (0.42) THRBKMT2AMAPTPRSS1ACR
SCHEMBL29365274 0.97 THRB (0.44) THRBKMT2AMAPTPRSS1ACR
SCHEMBL103219 0.97 THRB (0.44) THRBKMT2AMAPTPRSS1ACR
SCHEMBL16425803 0.96 NPC1 (0.44) THRBKMT2AMAPTPRSS1ACR
SCHEMBL19078821 0.96 THRB (0.43) THRBKMT2AMAPTPRSS1ACR
SCHEMBL20883271 0.96 NPC1 (0.44) THRBKMT2AMAPTPRSS1ACR
SCHEMBL18803342 0.96 NPC1 (0.44) THRBKMT2AMAPTPRSS1ACR
SCHEMBL12794265 0.96 NPC1 (0.44) THRBKMT2AMAPTPRSS1ACR

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-20150344782-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL AND METHOD FOR MANUFACTURING THE SAME, AND FILM FUJIFILM CORPORATION (JP) 2015-12-03 US disclosed
US-20150344782-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL AND METHOD FOR MANUFACTURING THE SAME, AND FILM FUJIFILM CORPORATION (JP) 2015-12-03 US disclosed
US-9005906-B2 Tetrahydropyran nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2015-04-14 US disclosed