SCHEMBL8019308

SCHEMBL8019308

COC1CC(C(=O)O)C(C(=O)Cc2c(C)cc(C)cc2C)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
LTC4S Q16873 2/20 0.35
CA1 P00915 8/20 0.32
CA2 P00918 8/20 0.32
CA9 Q16790 4/20 0.32
CA12 O43570 4/20 0.32
GRIK2 Q13002 1/20 0.32
GPR17 Q13304 1/20 0.32
STING1 Q86WV6 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL8019597 0.92 KDM4E (0.35) KDM4EPOLBMAPTLTC4SCA1
SCHEMBL8015561 0.92 LTC4S (0.36) KDM4EPOLBMAPTLTC4SCA1
SCHEMBL8703643 0.89 MAPT (0.34) KDM4EPOLBMAPTMEN1CYP1A2
SCHEMBL8708651 0.86 CA1 (0.38) KDM4EPOLBMAPTCA1CA2
SCHEMBL8019369 0.84 POLB (0.36) KDM4EPOLBMAPTCA1CA2
SCHEMBL8021762 0.84 CA1 (0.42) KDM4EPOLBMAPTLTC4SCA1
SCHEMBL8019429 0.84 KDM4E (0.36) KDM4EPOLBMAPTCA1CA2
SCHEMBL8707674 0.83 KCNQ3 (0.33) KDM4EPOLBMAPTMEN1CYP1A2
SCHEMBL8017376 0.82 KDM4E (0.39) KDM4EPOLBMAPTGRIK2
SCHEMBL8704301 0.82 POLB (0.37) POLBCA1CA2CA9CA12

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