SCHEMBL8745470

SCHEMBL8745470

CC(=O)N(C)C(Cc1ccc(Oc2ccc(O)cc2)c(Br)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
NR1I2 O75469 1/20 0.40
PPARG P37231 1/20 0.40
AGTR2 P50052 1/20 0.40
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
PCNA P12004 1/20 0.39
NR3C1 P04150 1/20 0.38
MMP1 P03956 1/20 0.38
MMP13 P45452 1/20 0.38
FFAR1 O14842 2/20 0.35
SLC7A5 Q01650 1/20 0.35
LDHA P00338 1/20 0.35

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
SCHEMBL8745435 0.86 THRA (0.48) THRATHRBPPARGPCNA
SCHEMBL8745401 0.81 PCNA (0.58) THRATHRBNR1I2PPARGAGTR2
SCHEMBL8745404 0.81 PCNA (0.58) THRATHRBNR1I2PPARGAGTR2
SCHEMBL7373699 0.79 SLC7A5 (0.54) SLC7A5
SCHEMBL31127604 0.79 SLC7A5 (0.54) SLC7A5
SCHEMBL2522740 0.79 SLC7A5 (0.54) SLC7A5
SCHEMBL8745464 0.76 THRA (0.44) THRATHRBNR1I2PPARGAGTR2
SCHEMBL3682167 0.75 PPARG (0.39) THRATHRBNR1I2PPARGAGTR2
SCHEMBL3682170 0.75 PPARG (0.39) THRATHRBNR1I2PPARGAGTR2
SCHEMBL10466982 0.74 LDHA (0.64) BLMKMT2AMMP1LDHA

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