SCHEMBL7276769

SCHEMBL7276769

O=C(O)CCCCc1cc(I)c(Oc2ccc(O)c(Cc3ccc(=O)[nH]c3)c2)c(I)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.53
PCNA P12004 8/20 0.53
THRA P10827 8/20 0.53
POLB P06746 3/20 0.53
HIF1A Q16665 3/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 4/20 0.45
ABCB11 O95342 2/20 0.45
GABRA1 P14867 2/20 0.45
PPARG P37231 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
PGR P06401 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL7274030 0.97 THRB (0.54) THRBPCNATHRAPOLBHIF1A
SCHEMBL7282545 0.82 THRB (0.56) THRBPCNATHRAPOLBHIF1A
SCHEMBL7273594 0.81 THRB (0.64) THRBPCNATHRAPOLBHIF1A
SCHEMBL7273586 0.81 THRB (0.64) THRBPCNATHRAPOLBHIF1A
SCHEMBL7273668 0.78 THRB (0.47) THRBPCNATHRAPOLBHIF1A
SCHEMBL7273675 0.78 THRB (0.47) THRBPCNATHRAPOLBHIF1A
SCHEMBL6825136 0.76 THRB (0.85) THRBPCNATHRAPOLBHIF1A
SCHEMBL7276142 0.75 THRB (0.67) THRBTHRA
Thyropropic Acid SCHEMBL310201 0.71 PCNA (1.00) THRBPCNATHRAPOLBHIF1A
SCHEMBL7274130 0.70 THRB (0.59) THRBPCNATHRALMNAABCB11

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 5 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