SCHEMBL21950002

SCHEMBL21950002

COc1ccc2c(c1)CCC(C)(C)O2

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
PLCG2 P16885 1/20 0.55
MALT1 Q9UDY8 2/20 0.51
COXFA4 O00483 1/20 0.49
GHSR Q92847 1/20 0.47
HTR2A P28223 3/20 0.46
DRD2 P14416 2/20 0.46
HTR2C P28335 2/20 0.46
PDE10A Q9Y233 1/20 0.46
KCNH2 Q12809 1/20 0.46
PKM P14618 2/20 0.46
OPRM1 P35372 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PKLR P30613 1/20 0.43
DAGLA Q9Y4D2 2/20 0.43
ABHD6 Q9BV23 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSB P07858 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
SCHEMBL31260287 0.87 CA2 (0.49) MAPTPLCG2MALT1COXFA4GHSR
SCHEMBL4972696 0.87 CA2 (0.49) MAPTPLCG2MALT1COXFA4GHSR
SCHEMBL4017321 0.85 MAPT (0.46) MAPTPLCG2MALT1COXFA4GHSR
SCHEMBL7972444 0.84 MAPT (0.45) MAPTPLCG2MALT1COXFA4GHSR
SCHEMBL16082385 0.83 SCN9A (0.45) MAPTPLCG2COXFA4GHSRPKM
SCHEMBL7931244 0.81 MAPT (0.43) MAPTPLCG2COXFA4GHSRPDE10A
SCHEMBL8557528 0.80 PKM (0.71) MAPTPLCG2GHSRPKM
SCHEMBL17430831 0.79 HRH3 (0.49) MAPTPLCG2COXFA4GHSRPDE10A
SCHEMBL8558063 0.79 CYP3A4 (0.57) MAPTPLCG2GHSRKCNH2PKM
SCHEMBL13005005 0.78 HTR2A (0.63) HTR2ADRD2HTR2CKCNH2

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-3643711-A1 NEW ANTHELMINTIC COMPOUNDS Bayer Animal Health GmbH (DE) 2020-04-29 EP disclosed