SCHEMBL7769005

SCHEMBL7769005

Cc1cc(C)c(C2C(=O)NC(C)(C(C)C)C2=O)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL3598334 0.89 KMT2A (0.31)
SCHEMBL7000259 0.88 MAPT (0.32)
SCHEMBL7766420 0.81 ALDH1A1 (0.35) HSD17B10ALDH1A1
SCHEMBL8648027 0.80 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL812490 0.78
SCHEMBL8875145 0.75 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7780291 0.74 CRBN (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8645554 0.72 KMT2A (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7781028 0.72 HTR7 (0.32)
SCHEMBL6839193 0.71 ALDH1A1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613885-B1 Subsituted 1-H-3-phenyl-5-cycloalkyl-pyrrolidin-2,4-diones, their preparation and their use as parasiticides and herbicides BAYER AG (DE) 2001-09-19 EP disclosed
EP-0613884-B1 Dialkyl-1-H-3(2,4-dimethylphenyl)-pyrrolidin-2,4-diones, their preparation and their use as parasiticides and herbicides BAYER AG (DE) 2001-06-20 EP disclosed
US-5602078-A POSSESS HERBICIDAL AND PESTICIDAL ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
US-5567671-A HERBICIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-10-22 US disclosed
US-5504057-A HERBICIDES; PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed
EP-0613884-A2 Dialkyl-1-H-3(2,4-dimethylphenyl)-pyrrolidin-2,4-diones, their preparation and their use as parasiticides and herbicides BAYER AG (DE) 1994-09-07 EP disclosed