SCHEMBL16746201

SCHEMBL16746201

C=C(C)C(=O)OCCCOc1ccc(C=COCOc2ccc3c(c2)C(C)(C)c2cc(OC(=O)C=Cc4ccc(OCCCOC(=O)C(=C)C)cc4F)ccc2-3)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDK2 Q15119 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL16746176 0.98 POLB (0.37) POLBAPEX1HTTTDP1PDK2
SCHEMBL16746183 0.98 POLB (0.38) POLBAPEX1HTTTDP1PDK2
SCHEMBL16746152 0.94
SCHEMBL16657512 0.93 POLB (0.39) POLBAPEX1HTTTDP1PDK2
SCHEMBL17942926 0.93 POLB (0.35) POLBAPEX1HTTTDP1PDK2
SCHEMBL16657511 0.92 POLB (0.41) POLBAPEX1HTTTDP1PDK2
SCHEMBL16746175 0.90 THRB (0.31) PDK2
SCHEMBL16746187 0.89 PDK2 (0.32) PDK2
SCHEMBL17430971 0.88 CA12 (0.31) TDP1
SCHEMBL16746174 0.88 PDK2 (0.31) PDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9399736-B2 Optically anisotropic substance and liquid crystal display JNC CORPORATION (JP) 2016-07-26 US disclosed
US-20150146156-A1 OPTICALLY ANISOTROPIC SUBSTANCE AND LIQUID CRYSTAL DISPLAY JNC CORPORATION (JP) 2015-05-28 US disclosed