SCHEMBL8005960

SCHEMBL8005960

COC1CCCC(C(=O)Cc2c(C)cc(C)cc2C)C1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.33
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX2 P34913 1/20 0.31
P2RX7 Q99572 1/20 0.31
CRHR1 P34998 1/20 0.31
TAS1R3 Q7RTX0 2/20 0.30
TAS1R1 Q7RTX1 2/20 0.30
TAS1R2 Q8TE23 2/20 0.30
HPGD P15428 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
SCHEMBL8019301 0.90 KDM4E (0.33) POLBKDM4EALDH1A1LMNAGAA
SCHEMBL8709778 0.89 KDM4E (0.35) POLBKDM4EALDH1A1MAPTLMNA
Bicarbonate SCHEMBL8015583 0.88 KDM4E (0.35) POLBKDM4EALDH1A1MAPTLMNA
SCHEMBL8708008 0.87 POLB (0.35) POLBKDM4EALDH1A1MAPTGAA
Bicarbonate SCHEMBL8019305 0.86 KDM4E (0.38) POLBKDM4EALDH1A1MAPTLMNA
SCHEMBL8703759 0.84 ALDH1A1 (0.35) POLBKDM4EALDH1A1LMNAGAA
SCHEMBL8703244 0.83 TAS1R3 (0.39) POLBKDM4EALDH1A1MAPTLMNA
SCHEMBL8015581 0.82 P2RX7 (0.32) POLBKDM4EMAPTEPHX2P2RX7
SCHEMBL8022788 0.78 GAA (0.43) ALDH1A1LMNAGAAEPHX2TAS1R3
SCHEMBL8704584 0.78 POLB (0.38) POLBALDH1A1LMNAGAANPSR1

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