SCHEMBL8745429

SCHEMBL8745429

COC(=O)[C@@H](N)Cc1cc(Br)c(Oc2ccc(OC)cc2)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.48
THRA P10827 9/20 0.48
PPARG P37231 1/20 0.48
ALDH1A1 P00352 1/20 0.44
PCNA P12004 2/20 0.43
KIF11 P52732 1/20 0.42
PTGS2 P35354 1/20 0.41
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL8745457 0.88 THRB (0.61) THRBTHRAPPARGALDH1A1PCNA
SCHEMBL3961472 0.85 ALDH1A1 (0.47) THRBTHRAPPARGALDH1A1TSHR
SCHEMBL28497912 0.85 ALDH1A1 (0.47) THRBTHRAPPARGALDH1A1TSHR
SCHEMBL30124119 0.85 ALDH1A1 (0.47) THRBTHRAPPARGALDH1A1TSHR
SCHEMBL8745430 0.84 PCNA (0.42) THRBTHRAPCNA
SCHEMBL7250996 0.80 LDHA (0.59) ALDH1A1KIF11PTGS2CYP2D6
SCHEMBL1309076 0.80 LDHA (0.59) ALDH1A1KIF11PTGS2CYP2D6
SCHEMBL1311287 0.80 LDHA (0.59) ALDH1A1KIF11PTGS2CYP2D6
SCHEMBL8745406 0.79 KMT2A (0.48) THRBTHRAPPARGALDH1A1
SCHEMBL8745433 0.79 KMT2A (0.48) THRBTHRAPPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612308-B1 METHOD FOR PREPARING RADIO-IODINATED THYRONINE DERIVATIVES; NOVEL INTERMEDIATES HENNING BERLIN GMBH (DE) 1997-02-05 EP disclosed
EP-0612308-A1 METHOD FOR PREPARING RADIO-IODINATED THYRONINE DERIVATIVES; NOVEL INTERMEDIATES. HENNING BERLIN GMBH (DE) 1994-08-31 EP disclosed
WO-1993009076-A1 METHOD FOR PREPARING RADIO-IODINATED THYRONINE DERIVATIVES; NOVEL INTERMEDIATES HENNING BERLIN GMBH CHEMIE- UND PHARMAWERK (DE) 1993-05-13 WO disclosed