SCHEMBL8019369

SCHEMBL8019369

Cc1cc(C)c(CC(=O)C2CC(C)CC2C(=O)O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
FFAR1 O14842 2/20 0.33
GRIK2 Q13002 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNQ4 P56696 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31
GAA P10253 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
GPR17 Q13304 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 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
SCHEMBL8022727 0.91 KDM4E (0.35) POLBKDM4EMAPTFFAR1GRIK2
SCHEMBL8005992 0.91 KDM4E (0.35) POLBKDM4EMAPTFFAR1GRIK2
SCHEMBL8019429 0.91 KDM4E (0.36) POLBKDM4EMAPTFFAR1GRIK2
SCHEMBL8021762 0.88 CA1 (0.42) POLBKDM4EMAPTFFAR1GRIK2
SCHEMBL8017376 0.86 KDM4E (0.39) POLBKDM4EMAPTGRIK2ALDH1A1
SCHEMBL8709716 0.85 KDM4E (0.35) POLBKDM4EMAPTALDH1A1LMNA
SCHEMBL8704002 0.84 CA1 (0.37) POLBKDM4EMAPTALDH1A1GAA
SCHEMBL8019308 0.84 KDM4E (0.37) POLBKDM4EMAPTGRIK2CA1
SCHEMBL8704628 0.83 KDM4E (0.33) POLBKDM4EMAPTGRIK2HPGD
SCHEMBL8710393 0.81 KDM4E (0.32) POLBKDM4EMAPTGRIK2

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