SCHEMBL12942073

SCHEMBL12942073

CCOc1ccc(Oc2c(I)cc(CC(=O)OC(C)(C)C)cc2I)cc1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PCNA P12004 8/20 0.49
▸ THRB P10828 11/20 0.47
▸ THRA P10827 7/20 0.47
▸ LMNA P02545 5/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ PPARG P37231 3/20 0.47
▸ POLB P06746 3/20 0.47
▸ HIF1A Q16665 3/20 0.47
▸ RXRA P19793 2/20 0.47
▸ ABCB11 O95342 2/20 0.47
▸ GABRA1 P14867 2/20 0.47
▸ GABRA2 P47869 2/20 0.47
▸ GABRB2 P47870 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ HTR1A P08908 2/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ HTR2B P41595 2/20 0.47

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
SCHEMBL12903046 0.88 THRB (0.49) PCNATHRBTHRALMNAHSD17B10
SCHEMBL1526094 0.80 THRB (0.68) PCNATHRBTHRALMNAHSD17B10
SCHEMBL19695859 0.72 THRB (0.58) PCNATHRBTHRALMNAHSD17B10
SCHEMBL14826122 0.72 MTNR1A (0.45) PCNATHRBTHRALMNAHSD17B10
SCHEMBL19696744 0.70 THRB (0.76) PCNATHRBTHRALMNAHSD17B10
SCHEMBL19679560 0.70 PCNA (0.62) PCNATHRBTHRALMNAHSD17B10
SCHEMBL19679558 0.70 THRB (0.62) PCNATHRBTHRALMNAHSD17B10
Thyromedan SCHEMBL29385284 0.70 PCNA (0.46) PCNATHRBTHRALMNAHSD17B10
SCHEMBL6859639 0.69 PCNA (0.50) PCNATHRBTHRALMNAHSD17B10
SCHEMBL6471833 0.69 MTNR1A (0.45) LMNAHSD17B10PPARGPOLBRXRA

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-8361453-B2 Iodinated polymers RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-01-29 — — US disclosed
US-20110022161-A1 IODINATED POLYMERS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-01-27 — — US disclosed
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