SCHEMBL8019205

SCHEMBL8019205

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
TAS1R3 Q7RTX0 4/20 0.34
TAS1R1 Q7RTX1 4/20 0.34
TAS1R2 Q8TE23 4/20 0.34
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
GRIK2 Q13002 1/20 0.32
KDM4E B2RXH2 3/20 0.32
FFAR1 O14842 2/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX2 P34913 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL8006364 0.92 TAS1R3 (0.39) HRH3TAS1R3TAS1R1TAS1R2POLB
SCHEMBL8015735 0.92 TAS1R3 (0.36) HRH3TAS1R3TAS1R1TAS1R2POLB
SCHEMBL8704389 0.88 KDM4E (0.36) HRH3TAS1R3TAS1R1TAS1R2POLB
SCHEMBL8022822 0.84 POLB (0.33) TAS1R3TAS1R1TAS1R2POLBALDH1A1
SCHEMBL8018118 0.83 TAS1R3 (0.36) HRH3TAS1R3TAS1R1TAS1R2POLB
SCHEMBL8017376 0.83 KDM4E (0.39) TAS1R3TAS1R1TAS1R2POLBALDH1A1
SCHEMBL8019429 0.82 KDM4E (0.36) HRH3TAS1R3TAS1R1TAS1R2POLB
SCHEMBL8015581 0.82 P2RX7 (0.32) POLBKCNQ3KCNQ2KCNQ4KCNQ5
Bicarbonate SCHEMBL8022825 0.81 TAS1R3 (0.39) HRH3TAS1R3TAS1R1TAS1R2POLB
SCHEMBL8703244 0.81 TAS1R3 (0.39) HRH3TAS1R3TAS1R1TAS1R2POLB

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