SCHEMBL8017376

SCHEMBL8017376

Cc1cc(C)c(CC(=O)C2CCC2C(=O)O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
GAA P10253 1/20 0.36
PEPD P12955 1/20 0.36
GRIK2 Q13002 1/20 0.35
EPHX2 P34913 1/20 0.35
P2RX7 Q99572 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TAS1R2 Q8TE23 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL8022788 0.94 GAA (0.43) GAAPEPDEPHX2TAS1R3TAS1R1
SCHEMBL8022727 0.90 KDM4E (0.35) KDM4EPOLBMAPTKCNQ3KCNQ2
SCHEMBL8005992 0.90 KDM4E (0.35) KDM4EPOLBMAPTKCNQ3KCNQ2
SCHEMBL8015561 0.86 LTC4S (0.36) KDM4EPOLBMAPTKCNQ3KCNQ2
SCHEMBL8019597 0.86 KDM4E (0.35) KDM4EPOLBMAPTKCNQ3KCNQ2
SCHEMBL8021762 0.86 CA1 (0.42) KDM4EPOLBMAPTKCNQ3KCNQ2
SCHEMBL8019369 0.86 POLB (0.36) KDM4EPOLBMAPTKCNQ3KCNQ2
SCHEMBL8019429 0.86 KDM4E (0.36) KDM4EPOLBMAPTKCNQ3KCNQ2
SCHEMBL10199754 0.84 GAA (0.39) KDM4EMAPTGAAPEPDEPHX2
SCHEMBL8005995 0.84 GAA (0.35) KDM4EPOLBMAPTGAAGRIK2

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