SCHEMBL9857933

SCHEMBL9857933

C=C(C)C(=O)Oc1ccc(Br)c(Br)c1Br.C=CC(=O)Oc1cccc(Br)c1Br

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.38
THRB P10828 2/20 0.37
THRA P10827 1/20 0.37
ELANE P08246 1/20 0.33
NCEH1 Q6PIU2 1/20 0.32
PKM P14618 1/20 0.30

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
Methacrylic Acid SCHEMBL11204307 0.85 TYMS (0.36) TYMSTHRBTHRANCEH1PKM
SCHEMBL5492450 0.85 ELANE (0.42) ELANENCEH1PKM
SCHEMBL5459734 0.85 TYMS (0.44) TYMSTHRBTHRANCEH1
SCHEMBL30596831 0.83 TYMS (0.42) TYMSTHRBTHRANCEH1PKM
SCHEMBL331642 0.83 TYMS (0.42) TYMSTHRBTHRANCEH1PKM
SCHEMBL331217 0.83 ELANE (0.40) ELANENCEH1PKM
Methacrylic Acid SCHEMBL8429014 0.79 ELANE (0.41) ELANENCEH1PKM
SCHEMBL18931099 0.79 THRB (0.50) TYMSTHRBTHRAELANE
Oxirane SCHEMBL2834269 0.76 TYMS (0.41) TYMSTHRBTHRANCEH1
SCHEMBL9773754 0.76 TSHR (0.41) THRBTHRANCEH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0423521-A1 Process for producing polymer molded article HERCULES INCORPORATED (US) 1991-04-24 EP disclosed