SCHEMBL8745430

SCHEMBL8745430

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PCNA P12004 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
POLB P06746 1/20 0.42
ACACB O00763 1/20 0.42
THRA P10827 3/20 0.41
THRB P10828 3/20 0.41
TACR1 P25103 1/20 0.40
LCK P06239 1/20 0.40

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
SCHEMBL8745406 0.91 KMT2A (0.48) THRATHRB
SCHEMBL8745433 0.91 KMT2A (0.48) THRATHRB
SCHEMBL8745429 0.84 THRB (0.48) PCNATHRATHRB
SCHEMBL5706152 0.82 ACACB (0.58) ACACBTHRBTACR1
SCHEMBL6662892 0.82 ACACB (0.58) ACACBTHRBTACR1
SCHEMBL8563606 0.79 KMT2A (0.49) POLBTACR1LCK
SCHEMBL8563604 0.79 KMT2A (0.49) POLBTACR1LCK
SCHEMBL8745456 0.78 PCNA (0.55) PCNATHRATHRBTACR1
SCHEMBL28094930 0.78 PCNA (0.55) PCNATHRATHRBTACR1
SCHEMBL7631233 0.78 TACR1 (0.43) PCNAACACBTACR1

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