SCHEMBL16167658

SCHEMBL16167658

CC(=O)Cc1cc(I)c(Oc2cc(I)c(OCCCNC(=O)OC(C)(C)C)c(I)c2)c(I)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 5/20 0.44
▸ THRA P10827 4/20 0.44
▸ PPARG P37231 4/20 0.44
▸ RXRA P19793 3/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGAV P06756 1/20 0.44
▸ CA12 O43570 5/20 0.43
▸ CA1 P00915 5/20 0.43
▸ CA2 P00918 5/20 0.43
▸ CA9 Q16790 5/20 0.43
▸ CYP1A1 P04798 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2B6 P20813 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CYP3A43 Q9HB55 1/20 0.43
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ADORA3 P0DMS8 3/20 0.41
▸ PDE4D Q08499 3/20 0.41

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
SCHEMBL6852309 0.92 THRB (0.56) THRBTHRAPPARGRXRAITGB3
SCHEMBL19677580 0.80 THRB (0.48) THRBTHRAPPARGRXRAITGB3
SCHEMBL19677576 0.79 THRB (0.47) THRBTHRAPPARGRXRAITGB3
SCHEMBL13886709 0.78 THRB (0.53) THRBTHRAPPARGRXRAITGB3
SCHEMBL25819213 0.77 THRB (0.70) THRBTHRAPPARGRXRAITGB3
SCHEMBL19677590 0.76 THRB (0.55) THRBTHRAPPARGRXRAITGB3
SCHEMBL19695859 0.75 THRB (0.58) THRBTHRAPPARGRXRAITGB3
SCHEMBL19677592 0.75 THRB (0.54) THRBTHRAPPARGRXRAITGB3
SCHEMBL13949709 0.73 THRB (0.77) THRBTHRAPPARGRXRAITGB3
SCHEMBL1526094 0.73 THRB (0.68) THRBTHRAPPARGRXRAITGB3

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-8859539-B2 Compositions of dual thyrointegrin antagonists and use in vascular-associated disorders VASCULAR VISION PHARMACEUTICAL COMPANY (US) 2014-10-14 — — US disclosed
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