SCHEMBL8005992

SCHEMBL8005992

Cc1cc(C)c(CC(=O)C2CC(C)CCC2C(=O)O)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HRH3 Q9Y5N1 2/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
GAA P10253 1/20 0.33
GRIK2 Q13002 1/20 0.32
FFAR1 O14842 2/20 0.32
EPHX2 P34913 1/20 0.32
P2RX7 Q99572 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 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 0.94 KDM4E (0.35) KDM4EPOLBMAPTHRH3KCNQ3
SCHEMBL8019369 0.91 POLB (0.36) KDM4EPOLBMAPTHRH3KCNQ3
SCHEMBL8017376 0.90 KDM4E (0.39) KDM4EPOLBMAPTKCNQ3KCNQ2
SCHEMBL8019429 0.85 KDM4E (0.36) KDM4EPOLBMAPTHRH3KCNQ3
SCHEMBL8710228 0.85 KDM4E (0.33) KDM4EPOLBMAPTHRH3KCNQ3
SCHEMBL8707693 0.84 CA1 (0.37) KDM4EPOLBMAPTPKM
SCHEMBL8022788 0.84 GAA (0.43) GAAEPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL8708942 0.83 KCNQ3 (0.34) KDM4EPOLBMAPTHRH3KCNQ3
SCHEMBL8021762 0.82 CA1 (0.42) KDM4EPOLBMAPTKCNQ3KCNQ2
SCHEMBL8708097 0.82 CA1 (0.37) KDM4EPOLBMAPTGAAALDH1A1

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