SCHEMBL8704649

SCHEMBL8704649

COC1CCC(C(=O)O)(C(=O)Cc2c(C)cc(C)cc2C)C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HRH3 Q9Y5N1 2/20 0.30
DPP4 P27487 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL8708079 0.94 DPP4 (0.33) POLBKDM4EMAPTHRH3DPP4
SCHEMBL8704709 0.93 POLB (0.33) POLBKDM4EMAPTHRH3
SCHEMBL8703647 0.89 POLB (0.32) POLB
SCHEMBL8703631 0.86 MEN1 (0.33) POLB
SCHEMBL8707684 0.86 POLB (0.33) POLBKDM4EMAPTHRH3DPP4
SCHEMBL8707216 0.84 HRH3 (0.34) POLBKDM4EMAPTHRH3FFAR4
SCHEMBL8704313 0.84 MEN1 (0.33) POLBDPP4
SCHEMBL8704022 0.83 HRH3 (0.33) POLBKDM4EMAPTHRH3FFAR4
SCHEMBL8704438 0.83 HRH3 (0.31) POLBKDM4EMAPTHRH3FFAR4
SCHEMBL8707386 0.83 MAPT (0.31) POLBKDM4EMAPT

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-5808135-A HERBICIDE; PESTICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed