SCHEMBL8022828

SCHEMBL8022828

CCOC(=O)C1CCCCC1C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TAS1R3 Q7RTX0 4/20 0.38
TAS1R1 Q7RTX1 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 3/20 0.37
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TAS1R2 Q8TE23 2/20 0.35

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
SCHEMBL8708085 0.97 POLB (0.40) TP53CYP3A4TAS1R3TAS1R1MEN1
SCHEMBL8703906 0.94 POLB (0.39) MEN1KMT2APOLBKDM4E
SCHEMBL2687043 0.92 TAS1R3 (0.36) TP53CYP3A4TAS1R3TAS1R1MEN1
SCHEMBL8703748 0.87 TAS1R3 (0.39) TAS1R3TAS1R1POLBEPHX2KDM4E
SCHEMBL3174224 0.86 TAS1R3 (0.35) TP53CYP3A4TAS1R3TAS1R1MEN1
SCHEMBL8708097 0.86 CA1 (0.37) MEN1KMT2APOLBKDM4E
SCHEMBL8704063 0.85 POLB (0.38) POLBKDM4E
SCHEMBL2431064 0.85 MAPT (0.35) TP53CYP3A4TAS1R3TAS1R1MEN1
SCHEMBL8707693 0.85 CA1 (0.37) POLBKDM4E
SCHEMBL14382020 0.85 ATM (0.42) TAS1R3TAS1R1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773920-B1 2-(2,4,6-TRIMETHYL PHENYL)CYCLOPENTANE-1,3-DIONE DERIVATIVES BAYER AG (DE) 2000-01-26 EP disclosed
US-5808135-A HERBICIDE; PESTICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
EP-0773920-A1 2-(2,4,6-TRIMETHYL PHENYL)CYCLOPENTANE-1,3-DIONE DERIVATIVES BAYER AG (DE) 1997-05-21 EP disclosed
WO-1996003366-A1 2-(2,4,6-TRIMETHYL PHENYL)CYCLOPENTANE-1,3-DIONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1996-02-08 WO disclosed