SCHEMBL8032848

SCHEMBL8032848

C=C(C)C(=O)OCCc1cc(CCl)c(CCl)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
TSHR P16473 3/20 0.36
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL28398897 0.83 THRB (0.44) THRBTSHRPOLBAPEX1HTT
SCHEMBL28995247 0.76 THRB (0.40) THRBTSHRPOLBAPEX1HTT
Ammonia Solution, Strong SCHEMBL4885946 0.75 THRB (0.39) THRBTSHRPOLBAPEX1HTT
SCHEMBL13967508 0.74 THRB (0.53) THRBTSHRPOLBAPEX1HTT
SCHEMBL28404226 0.73 THRB (0.45) THRBTSHRPOLBAPEX1HTT
Carbamic Acid SCHEMBL30285522 0.72 POLB (0.36) THRBTSHRPOLBAPEX1HTT
SCHEMBL15019921 0.71 THRB (0.44) THRBTSHRPOLBAPEX1HTT
SCHEMBL31425225 0.71 THRB (0.44) THRBTSHRPOLBAPEX1HTT
SCHEMBL1285930 0.70 THRB (0.42) THRBTSHRPOLBAPEX1HTT
SCHEMBL146236 0.68 THRB (0.46) THRBTSHRPOLBAPEX1HTT

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
WO-2000069394-A1 ONE-PART FLUORIDE RELEASING DENTAL MATERIALS 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-11-23 WO disclosed