SCHEMBL8005995

SCHEMBL8005995

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
P2RX7 Q99572 1/20 0.35
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
GRIK2 Q13002 1/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EPHX2 P34913 1/20 0.30
NR2F2 P24468 1/20 0.30

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
SCHEMBL8019384 0.89 POLB (0.36) GAAP2RX7KDM4EPOLBMAPT
SCHEMBL8709109 0.85 KDM4E (0.36) GAAP2RX7KDM4EPOLBMAPT
SCHEMBL8017376 0.84 KDM4E (0.39) GAAP2RX7KDM4EPOLBMAPT
SCHEMBL8022788 0.81 GAA (0.43) GAAALDH1A1EPHX2
Bicarbonate SCHEMBL8019387 0.81 P2RX7 (0.36) P2RX7KDM4EPOLBMAPTRECQL
SCHEMBL8018140 0.80 P2RX7 (0.36) GAAP2RX7KDM4EPOLBMAPT
SCHEMBL8005992 0.78 KDM4E (0.35) GAAP2RX7KDM4EPOLBMAPT
SCHEMBL8703408 0.77 MMP2 (0.34) P2RX7KDM4EPOLBMAPTALDH1A1
SCHEMBL12885645 0.76 KDM4E (0.40) GAAP2RX7KDM4EPOLBMAPT
Bicarbonate SCHEMBL8005998 0.76 EPHX2 (0.35) GAAP2RX7POLBEPHX2

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