SCHEMBL9080835

SCHEMBL9080835

COC(=O)c1cc(Br)c(O)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
KDM4E B2RXH2 2/20 0.47
HTT P42858 2/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
POLB P06746 2/20 0.44
PTPN1 P18031 5/20 0.43
DPP4 P27487 2/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
CCR6 P51684 1/20 0.42

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
SCHEMBL29046554 0.93 GAA (0.50) GAAKDM4EHTTCA12CA1
SCHEMBL31587771 0.86 HTT (0.50) GAAKDM4EHTTCA12CA1
SCHEMBL10692871 0.86 HTT (0.50) GAAKDM4EHTTCA12CA1
SCHEMBL383036 0.85 GAA (0.53) GAAKDM4EHTTLCKFYN
SCHEMBL25341252 0.85 CA1 (0.50) GAAKDM4ECA12CA1CA2
SCHEMBL30448096 0.85 CA1 (0.50) GAAKDM4ECA12CA1CA2
SCHEMBL11813043 0.83 TDP1 (0.50) GAAKDM4EHTTCA12CA1
SCHEMBL644516 0.83 CA1 (0.53) GAAKDM4EHTTCA12CA1
SCHEMBL30463075 0.83 CA1 (0.53) GAAKDM4EHTTCA12CA1
SCHEMBL166802 0.82 GAA (0.50) GAAKDM4EHTTLCKFYN

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-1996034851-A1 BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 WO disclosed