SCHEMBL8022822

SCHEMBL8022822

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 3/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
KCNQ4 P56696 1/20 0.32
KCNQ5 Q9NR82 1/20 0.32
GRIK2 Q13002 1/20 0.32
FFAR1 O14842 2/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 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
SCHEMBL8015735 0.90 TAS1R3 (0.36) POLBALDH1A1LMNAKDM4ETAS1R3
SCHEMBL8703857 0.85 KDM4E (0.38) POLBALDH1A1LMNAKDM4ETAS1R3
SCHEMBL8019205 0.84 HRH3 (0.35) POLBALDH1A1LMNAKDM4ETAS1R3
SCHEMBL8705315 0.84 KDM4E (0.39) POLBALDH1A1LMNAKDM4EMAPT
SCHEMBL8019429 0.84 KDM4E (0.36) POLBALDH1A1LMNAKDM4ETAS1R3
SCHEMBL8018118 0.82 TAS1R3 (0.36) POLBALDH1A1LMNAKDM4ETAS1R3
SCHEMBL8015452 0.82 CA1 (0.35) POLBALDH1A1LMNAKDM4EKCNQ3
SCHEMBL8006364 0.80 TAS1R3 (0.39) POLBALDH1A1LMNAKDM4ETAS1R3
SCHEMBL8017376 0.79 KDM4E (0.39) POLBALDH1A1KDM4ETAS1R3TAS1R1
SCHEMBL8703501 0.79 TAS1R3 (0.37) POLBALDH1A1KDM4ETAS1R3TAS1R1

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