SCHEMBL8022573

SCHEMBL8022573

Cc1cc(C)c(CC(=O)C23CCCCC2(C(=O)O)C3)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.32
HRH3 Q9Y5N1 3/20 0.31
GPR17 Q13304 1/20 0.30
PYGL P06737 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL8707857 0.91 KDM4E (0.37) KDM4EPOLBMAPTKMT2AHRH3
SCHEMBL8706084 0.85 LMNA (0.34) KDM4EPOLBMAPTKMT2A
SCHEMBL8707999 0.83 SLC6A4 (0.34) POLBKMT2AHPGD
SCHEMBL8703671 0.79 POLB (0.34) KDM4EPOLBMAPTKMT2AHRH3
SCHEMBL8704362 0.78 NPSR1 (0.33) KDM4EPOLBMAPTKMT2A
SCHEMBL8703838 0.77 KDM4E (0.35) KDM4EPOLBMAPTKMT2AHRH3
Bicarbonate SCHEMBL8015292 0.76 HRH3 (0.36) KDM4EPOLBMAPTKMT2AHRH3
SCHEMBL8015718 0.74 KDM4E (0.35) KDM4EPOLBMAPTKMT2AHRH3
SCHEMBL8703885 0.74 KDM4E (0.35) KDM4EPOLBMAPTHRH3HPGD
SCHEMBL8703256 0.72 HRH3 (0.36) KDM4EPOLBMAPTHRH3TSHR

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