SCHEMBL19308103

SCHEMBL19308103

C/N=C/C(O)COc1ccc(Oc2c(I)cc(CC(NB(C)O)C(=O)O)cc2I)cc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 11/20 0.40
▸ PCNA P12004 9/20 0.40
▸ THRA P10827 7/20 0.40
▸ LMNA P02545 6/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ PPARG P37231 3/20 0.40
▸ ABCB11 O95342 2/20 0.40
▸ GABRA1 P14867 2/20 0.40
▸ GABRA2 P47869 2/20 0.40
▸ GABRB2 P47870 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ ADORA1 P30542 1/20 0.40

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
SCHEMBL19308104 0.90 THRB (0.45) THRBPCNATHRALMNAMEN1
SCHEMBL13949734 0.84 THRB (0.41) THRBPCNATHRALMNAMEN1
SCHEMBL13949735 0.79 THRB (0.41) THRBPCNATHRALMNAMEN1
SCHEMBL13949736 0.79 THRB (0.64) THRBPCNATHRALMNAMEN1
SCHEMBL12584474 0.76 THRB (0.62) THRBPCNATHRALMNAMEN1
SCHEMBL12584488 0.74 THRB (0.47) THRBPCNATHRALMNAMEN1
SCHEMBL18556479 0.73 THRB (0.58) THRBPCNATHRALMNAMEN1
SCHEMBL17612147 0.72 THRB (0.42) THRBPCNATHRALMNAMEN1
SCHEMBL12584490 0.70 THRB (0.47) THRBPCNATHRALMNAMEN1
SCHEMBL12584374 0.69 ITGB3 (0.44) THRBPCNATHRALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9750709-B2 Nanoparticle and polymer formulations for thyroid hormone analogs, antagonists, and formulations thereof NANOPHARMACEUTICALS LLC (US) 2017-09-05 — — US disclosed
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