SCHEMBL17308148

SCHEMBL17308148

O=C(O)NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.69
THRA P10827 8/20 0.69
PCNA P12004 7/20 0.69
LMNA P02545 4/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
ABCB11 O95342 2/20 0.69
GABRA1 P14867 2/20 0.69
PPARG P37231 2/20 0.69
GABRA2 P47869 2/20 0.69
GABRB2 P47870 2/20 0.69
CYP2D6 P10635 1/20 0.69
TSHR P16473 1/20 0.69
GABRP O00591 1/20 0.69
GABRD O14764 1/20 0.69
F2 P00734 1/20 0.69
GABRB1 P18505 1/20 0.69
GABRG2 P18507 1/20 0.69
GABRB3 P28472 1/20 0.69
ADORA1 P30542 1/20 0.69

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
SCHEMBL468737 0.91 THRB (0.69) THRBTHRAPCNALMNAMEN1
SCHEMBL468740 0.91 THRB (0.69) THRBTHRAPCNALMNAMEN1
SCHEMBL14509272 0.90 THRB (0.68) THRBTHRAPCNALMNAMEN1
SCHEMBL6515348 0.90 THRB (0.65) THRBTHRAPCNALMNAMEN1
SCHEMBL6515345 0.90 THRB (0.65) THRBTHRAPCNALMNAMEN1
SCHEMBL9301939 0.90 THRB (0.65) THRBTHRAPCNALMNAMEN1
SCHEMBL4635133 0.90 THRB (0.68) THRBTHRAPCNALMNAMEN1
SCHEMBL13952480 0.88 THRB (0.69) THRBTHRAPCNALMNAMEN1
SCHEMBL8245248 0.88 THRB (0.62) THRBTHRAPCNALMNAMEN1
SCHEMBL24798677 0.87 THRB (0.64) THRBTHRAPCNALMNAMEN1

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-10267775-B2 Extraction, derivatization, and quantification of analytes TECAN SP, INC. (US) 2019-04-23 US disclosed
US-20150346170-A1 Extraction, Derivatization, and Quantification of Analytes QUANTALYTICAL LABS INC. (US) 2015-12-03 US disclosed
US-20150346170-A1 Extraction, Derivatization, and Quantification of Analytes QUANTALYTICAL LABS INC. (US) 2015-12-03 US disclosed