SCHEMBL7276582

SCHEMBL7276582

NC(Cc1cc(I)c(Oc2ccc(O)c(Cc3ccc(O)cc3)c2)c(I)c1)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCNA P12004 4/20 0.75
THRB P10828 10/20 0.72
THRA P10827 6/20 0.72
MEN1 O00255 6/20 0.72
KMT2A Q03164 6/20 0.72
LMNA P02545 5/20 0.72
PPARG P37231 2/20 0.72
CYP2D6 P10635 1/20 0.72
TSHR P16473 1/20 0.72
GABRP O00591 1/20 0.72
GABRD O14764 1/20 0.72
ABCB11 O95342 1/20 0.72
F2 P00734 1/20 0.72
GABRA1 P14867 1/20 0.72
GABRB1 P18505 1/20 0.72
GABRG2 P18507 1/20 0.72
GABRB3 P28472 1/20 0.72
ADORA1 P30542 1/20 0.72
GABRA5 P31644 1/20 0.72
GABRA3 P34903 1/20 0.72

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
SCHEMBL7276806 1.00 PCNA (0.75) PCNATHRBTHRAMEN1KMT2A
SCHEMBL7276589 1.00 PCNA (0.75) PCNATHRBTHRAMEN1KMT2A
SCHEMBL1487713 0.86 PCNA (1.00) PCNATHRBTHRAMEN1KMT2A
SCHEMBL428139 0.86 PCNA (1.00) PCNATHRBTHRAMEN1KMT2A
SCHEMBL445767 0.86 PCNA (1.00) PCNATHRBTHRAMEN1KMT2A
SCHEMBL7275873 0.86 THRB (0.64) PCNATHRBTHRAMEN1KMT2A
SCHEMBL7276811 0.86 THRB (0.64) PCNATHRBTHRAMEN1KMT2A
SCHEMBL7275884 0.86 THRB (0.64) PCNATHRBTHRAMEN1KMT2A
SCHEMBL7273594 0.86 THRB (0.64) PCNATHRBTHRAMEN1KMT2A
SCHEMBL7273586 0.86 THRB (0.64) PCNATHRBTHRAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5061798-A Intermediates in the formation of synthetic hormones, mimic effects of thyroid hormones; little or no effect on the heart SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1991-10-29 US disclosed
EP-0188351-B1 CHEMICAL COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-03-13 EP disclosed
US-4910305-A Containing a protected 4-hydroxyphenyl SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-03-20 US disclosed
US-4826876-A WITHOUT EFFECT ON HEART SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-05-02 US disclosed
US-4766121-A NOT AFFECTING THE HEART SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1988-08-23 US disclosed
EP-0188351-A2 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-07-23 EP disclosed