SCHEMBL11225784

SCHEMBL11225784

O=C(Cl)C1C2C=CC(CC2)C1C(=O)Cl

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.59
POLB P06746 3/20 0.59
APEX1 P27695 1/20 0.59
ALDH1A1 P00352 2/20 0.34
HSD11B1 P28845 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD11B2 P80365 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 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
SCHEMBL2263853 0.86 POLB (0.42) TDP1POLBAPEX1ALDH1A1SMN1; SMN2
SCHEMBL16704813 0.86 POLB (0.42) TDP1POLBAPEX1ALDH1A1SMN1; SMN2
SCHEMBL16704798 0.86 POLB (0.42) TDP1POLBAPEX1ALDH1A1SMN1; SMN2
SCHEMBL2265585 0.86 POLB (0.42) TDP1POLBAPEX1ALDH1A1SMN1; SMN2
SCHEMBL1961397 0.86 POLB (0.42) TDP1POLBAPEX1ALDH1A1SMN1; SMN2
SCHEMBL16705141 0.86 POLB (0.42) TDP1POLBAPEX1ALDH1A1SMN1; SMN2
SCHEMBL6099950 0.86 POLB (0.42) TDP1POLBAPEX1ALDH1A1SMN1; SMN2
SCHEMBL20434234 0.80 POLB (0.39) TDP1POLBAPEX1ALDH1A1SMN1; SMN2
SCHEMBL14450705 0.74 POLB (1.00) TDP1POLBAPEX1ALDH1A1SMN1; SMN2
SCHEMBL14529762 0.74 POLB (1.00) TDP1POLBAPEX1ALDH1A1SMN1; SMN2

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
US-4347254-A Tricyclic cage compounds, their synthesis and use as antiviral agents SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-08-31 US disclosed