SCHEMBL5504319

SCHEMBL5504319

C=C(C)C(=O)OCCc1c(C(I)I)ccc(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 3/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ALDH1A1 P00352 1/20 0.31
RAD52 P43351 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
SCHEMBL958142 0.84 THRB (0.46) THRBPOLBAPEX1HTTTDP1
SCHEMBL1285930 0.81 THRB (0.42) THRBPOLBAPEX1HTTTDP1
SCHEMBL23111955 0.77 THRB (0.40) THRBPOLBAPEX1HTTTDP1
SCHEMBL28995247 0.77 THRB (0.40) THRBPOLBAPEX1HTTTDP1
Ammonia Solution, Strong SCHEMBL4885946 0.76 THRB (0.39) THRBPOLBAPEX1HTTTDP1
SCHEMBL28404226 0.75 THRB (0.45) THRBPOLBAPEX1HTTTDP1
Carbamic Acid SCHEMBL30285522 0.73 POLB (0.36) THRBPOLBAPEX1HTTTDP1
SCHEMBL13967508 0.73 THRB (0.53) THRBPOLBAPEX1HTTTDP1
SCHEMBL31425225 0.71 THRB (0.44) THRBPOLBAPEX1HTTTDP1
SCHEMBL15019921 0.71 THRB (0.44) THRBPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789008-A1 REACTIVE FILLER FOR DENTAL CEMENTS DENTSPLY DETREY GmbH (DE) 2007-05-30 EP disclosed
WO-2006013111-A1 REACTIVE FILLER FOR DENTAL CEMENTS DENTSPLY DETREY GMBH (DE) 2006-02-09 WO disclosed