SCHEMBL7780304

SCHEMBL7780304

CC1(C2CCCCC2)NC(=O)C(c2ccc(Cl)cc2Cl)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
GAA P10253 3/20 0.39
TSHR P16473 1/20 0.38
AGTR1 P30556 1/20 0.38
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPK1 P28482 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
LMNA P02545 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
BACE1 P56817 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5231679 0.83 L3MBTL1 (0.37) TP53GAATSHRMAPTCACNA1B
SCHEMBL12496757 0.76 PDE7A (0.45) TP53GAASLC6A4SLC6A3ALDH1A1
SCHEMBL7769009 0.74 GAA (0.42) TP53GAAMAPTUSP2MAPK1
SCHEMBL8905942 0.73 GAA (0.42) TP53GAATSHRAGTR1MAPT
SCHEMBL4512633 0.72 GAA (0.46) TP53GAAMAPTUSP2MAPK1
SCHEMBL7781016 0.71 DDB1 (0.36) LMNAKMT2AALDH1A1HTTL3MBTL1
SCHEMBL5929376 0.70 L3MBTL1 (0.31) L3MBTL1
SCHEMBL2759714 0.70 GAA (0.39) TP53GAATSHRAGTR1MAPT
SCHEMBL14587466 0.69 GAA (0.43) TP53GAAMAPTUSP2MAPK1
SCHEMBL2969282 0.68 MTOR (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6256307-A None JP disclosed
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
JP-H06256307-A SUBSTITUTED 1-H-3-PHENYL-5-CYCLOALKYLPYRROLIDINE-2,4-DIONE, ITS PREPARATION AND ITS USE BAYER AG 1994-09-13 JP 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