SCHEMBL11474155

SCHEMBL11474155

CC(C)(C)OC(=O)c1cc[c]cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.35
ATR Q13535 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
STAT3 P40763 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 2/20 0.33
CA14 Q9ULX7 1/20 0.33
LMNA P02545 1/20 0.33
NR3C2 P08235 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.32
P2RX7 Q99572 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL6945827 0.84 CA12 (0.35) EGFRATRCA12CA1CA2
SCHEMBL28018277 0.81 P2RX7 (0.34) CA12CA1CA2CA9POLB
SCHEMBL1712644 0.81 ABL1 (0.42) CA12CA1CA2CA9POLB
SCHEMBL27768243 0.80 NR3C2 (0.34) EGFRCA12CA1CA2CA9
SCHEMBL28791104 0.80 CA12 (0.33) EGFRCA12CA1CA2CA9
SCHEMBL27697960 0.80 CA12 (0.36) EGFRCA12CA1CA2CA9
SCHEMBL4322089 0.77 MAPK1 (0.32)
SCHEMBL27383305 0.76 EGFR (0.35) EGFRCA12CA1CA2CA9
SCHEMBL27833658 0.75 MAPT (0.36) POLBKMT2AMEN1
SCHEMBL27806654 0.75 CES2 (0.52) POLBKMT2ALMNA

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
EP-0009762-A1 Substituted N-benzoyl-N'-tert.-alcoxycarbonylphenyl(thio)ureas, methods for their preparation and their use as insecticides BAYER AG (DE) 1980-04-16 EP disclosed