SCHEMBL8006364

SCHEMBL8006364

Cc1cc(C)c(CC(=O)C2C(C)CCCC2C(=O)O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.39
TAS1R1 Q7RTX1 5/20 0.39
TAS1R2 Q8TE23 5/20 0.39
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
GAA P10253 2/20 0.34
PEPD P12955 1/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL8019205 0.92 HRH3 (0.35) TAS1R3TAS1R1TAS1R2NPSR1MEN1
SCHEMBL8703244 0.89 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2NPSR1MEN1
SCHEMBL8705586 0.88 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2NPSR1MEN1
SCHEMBL8703831 0.87 POLB (0.36) TAS1R3TAS1R1TAS1R2NPSR1MEN1
Bicarbonate SCHEMBL8019208 0.85 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2NPSR1MEN1
SCHEMBL8015735 0.84 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2NPSR1MEN1
SCHEMBL8019301 0.83 KDM4E (0.33) TAS1R3TAS1R1TAS1R2NPSR1MEN1
Bicarbonate SCHEMBL8015738 0.82 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2NPSR1MEN1
Bicarbonate SCHEMBL8006367 0.82 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2NPSR1MEN1
SCHEMBL8022788 0.81 GAA (0.43) TAS1R3TAS1R1TAS1R2MEN1KMT2A

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