SCHEMBL17612140

SCHEMBL17612140

CN(C)CC(O)COc1ccc(Oc2c(I)cc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc2I)cc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.43
▸ ITGA2B P08514 2/20 0.43
▸ ACE P12821 1/20 0.41
▸ PTPN1 P18031 3/20 0.41
▸ THRB P10828 8/20 0.39
▸ THRA P10827 5/20 0.39
▸ LMNA P02545 4/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ PCNA P12004 3/20 0.39
▸ PPARG P37231 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39

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
SCHEMBL12584374 0.89 ITGB3 (0.44) ITGB3ITGA2BACEPTPN1THRB
SCHEMBL6845190 0.81 ITGB3 (0.44) ITGB3ITGA2BACEPTPN1THRB
SCHEMBL12584373 0.81 ITGB3 (0.44) ITGB3ITGA2BACEPTPN1THRB
SCHEMBL5177146 0.81 THRB (0.60) ITGB3ITGA2BACETHRBTHRA
SCHEMBL5177770 0.81 THRB (0.60) ITGB3ITGA2BACETHRBTHRA
SCHEMBL8205060 0.81 THRB (0.60) ITGB3ITGA2BACETHRBTHRA
SCHEMBL13952220 0.80 THRB (0.47) ITGB3ITGA2BACEPTPN1THRB
SCHEMBL12642759 0.79 THRB (0.44) ITGB3ITGA2BACEPTPN1THRB
SCHEMBL16124513 0.79 ITGB3 (0.46) ITGB3ITGA2BACEPTPN1THRB
SCHEMBL14484751 0.79 ITGB3 (0.46) ITGB3ITGA2BACEPTPN1THRB

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-9289395-B2 Nanoparticle and polymer formulations for thyroid hormone analogs, antagonists, and formulations and uses thereof NANOPHARMACEUTICALS LLC (US) 2016-03-22 — — US disclosed
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