SCHEMBL7748819

SCHEMBL7748819

CCOC(=O)CC([AsH2])c1ccc(OC)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 2/20 0.45
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 7/20 0.44
ACHE P22303 1/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
TNF P01375 2/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
HTT P42858 2/20 0.43
CYP2C19 P33261 2/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL8770917 0.84 ACHE (0.48) CA12CA1CA2CA9LMNA
SCHEMBL5742697 0.83 ACHE (0.50) CA12CA1CA2CA9LMNA
SCHEMBL7294570 0.82 ALDH1A1 (0.54) CA12CA1CA2CA9LMNA
Hydrochloric Acid SCHEMBL5896507 0.82 ACHE (0.49) CA12CA1CA2CA9LMNA
SCHEMBL1370408 0.81 GAA (0.55) CA12CA1CA2CA9LMNA
SCHEMBL13580006 0.80 ALDH1A1 (0.50) CA12CA1CA2CA9LMNA
SCHEMBL17997742 0.78 TSHR (0.50) LMNAHIF1AALDH1A1PDE4APDE4B
SCHEMBL2990030 0.77 PDE4A (0.51) CA12CA1CA2CA9LMNA
SCHEMBL2993072 0.77 MAPK1 (0.51) LMNAHIF1AALDH1A1PDE4APDE4B
SCHEMBL4848590 0.76 SMN1; SMN2 (0.50) CA1CA2LMNAHIF1AALDH1A1

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-6200987-B1 ADMINISTERING AS TUMOR NECROSIS FACTOR INHIBITORS; CACHEXIA, ENDOTOXIN SHOCK; RETROVIRUS VIRICIDES CELGENE CORPORATION 2001-03-13 US disclosed