SCHEMBL8018140

SCHEMBL8018140

Cc1cc(C)c(CC(=O)C2C(=O)CCC2C(=O)O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.36
GRIK2 Q13002 1/20 0.32
CRBN Q96SW2 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
EPHX2 P34913 1/20 0.31
NR2F2 P24468 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.30
TAS1R3 Q7RTX0 2/20 0.30
TAS1R1 Q7RTX1 2/20 0.30
TAS1R2 Q8TE23 2/20 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
SCHEMBL8704710 0.85 P2RX7 (0.36) P2RX7POLBMAPTEPHX2KMT2A
SCHEMBL8703932 0.84 P2RX7 (0.36) P2RX7KDM4EPOLBMAPTGAA
SCHEMBL8005995 0.80 GAA (0.35) P2RX7GRIK2KDM4EPOLBMAPT
SCHEMBL8017376 0.79 KDM4E (0.39) P2RX7GRIK2KDM4EPOLBMAPT
SCHEMBL8022788 0.77 GAA (0.43) EPHX2GAAKMT2ATAS1R3TAS1R1
SCHEMBL8019384 0.75 POLB (0.36) P2RX7GRIK2KDM4EPOLBMAPT
SCHEMBL8022727 0.73 KDM4E (0.35) P2RX7GRIK2KDM4EPOLBMAPT
Bicarbonate SCHEMBL8018142 0.73 MCL1 (0.38) P2RX7KDM4EPOLBMAPTEPHX2
SCHEMBL8005992 0.73 KDM4E (0.35) P2RX7GRIK2KDM4EPOLBMAPT
SCHEMBL8019205 0.73 HRH3 (0.35) P2RX7GRIK2KDM4EPOLBMAPT

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