SCHEMBL7780291

SCHEMBL7780291

Cc1cc(C)c(C2C(=O)NC(C)(C3CC3)C2=O)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KMT2A Q03164 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DDB1 Q16531 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7780300 0.94 HTR7 (0.31) CRBNHTR7HTR2BTMEM97SIGMAR1
SCHEMBL7781028 0.94 HTR7 (0.32) CRBNHTR7HTR2BTMEM97SIGMAR1
SCHEMBL7778443 0.91 CHRM2 (0.30)
SCHEMBL3596041 0.89 KMT2A (0.33) CRBNKMT2A
SCHEMBL1359272 0.85 HTR7 (0.32) HTR7HTR2BTMEM97SIGMAR1
SCHEMBL6314284 0.82 L3MBTL1 (0.34) L3MBTL1
SCHEMBL7781016 0.81 DDB1 (0.36) CRBNKMT2AHSD17B10DDB1L3MBTL1
SCHEMBL8648027 0.79 GRIN2D (0.35) CRBNHTR7HTR2BTMEM97SIGMAR1
SCHEMBL5458693 0.79
SCHEMBL3169698 0.79

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 3 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
US-5567671-A HERBICIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-10-22 US disclosed
EP-0613885-A2 Subsituted 1-H-3-phenyl-5-cycloalkyl-pyrrolidin-2,4-diones, their preparation and their use as parasiticides and herbicides BAYER AG (DE) 1994-09-07 EP disclosed