SCHEMBL7274368

SCHEMBL7274368

COC(=O)[C@H](Cc1cc(Cl)c(Oc2ccc(OC)c(Cc3ccc(=O)[nH]n3)c2)c(Cl)c1)NC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.42
THRA P10827 3/20 0.42
RORC P51449 5/20 0.35
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PDE2A O00408 1/20 0.32
FPR1 P21462 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CAPN1 P07384 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL7281978 0.91 THRA (0.53) THRBTHRASMN1; SMN2MAPTPDE2A
SCHEMBL10414279 0.84 ALDH1A1 (0.44) THRBTHRATP53MAPTPDE2A
SCHEMBL7275728 0.79 THRB (0.36) THRBTHRAMAPTFPR1MEN1
SCHEMBL5114418 0.77 THRB (0.41) THRBTHRARORCMEN1KMT2A
SCHEMBL7282348 0.77 THRA (0.49) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL7273788 0.71 THRB (0.36) THRBTHRAMAPTMEN1KMT2A
SCHEMBL7281471 0.70 KDM4E (0.33) THRBTHRAMAPTMEN1KMT2A
SCHEMBL7273733 0.70 THRB (0.80) THRBTHRAMEN1KMT2ALMNA
SCHEMBL7276044 0.70 THRB (0.80) THRBTHRAMEN1KMT2ALMNA
SCHEMBL5113495 0.68 ESRRA (0.42) SMN1; SMN2TP53MAPTALDH1A1

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