SCHEMBL5209042

SCHEMBL5209042

[CH2]CCCC(=O)N(CC)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
EPHX2 P34913 1/20 0.39
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA4 P43681 1/20 0.33
LTB4R2 Q9NPC1 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
SCHEMBL5211071 0.88 MEN1 (0.36) LMNAEPHX2BCHEACHEMEN1
SCHEMBL5209126 0.85 LMNA (0.38) LMNAEPHX2ALDH1A1CHRNB2CHRNB4
SCHEMBL5204001 0.85 EPHX2 (0.47) LMNAEPHX2BCHEACHEALDH1A1
SCHEMBL12928359 0.83 ALDH1A1 (0.52) LMNAEPHX2BCHEACHEALDH1A1
SCHEMBL5208844 0.83 EPHX2 (0.52) LMNAEPHX2BCHEACHEALDH1A1
SCHEMBL5203563 0.82 EPHX2 (0.35) LMNAEPHX2MEN1KMT2ACHRNB2
SCHEMBL8230229 0.80 LMNA (0.45) LMNAEPHX2BCHEACHEALDH1A1
SCHEMBL25836455 0.80 EPHX2 (0.56) LMNAEPHX2ALDH1A1MEN1KMT2A
SCHEMBL5211215 0.79 MEN1 (0.33) LMNAMEN1KMT2A
SCHEMBL17285706 0.79 EPHX2 (0.39) LMNAEPHX2ALDH1A1MEN1KMT2A

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-0958292-B1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AG (DE) 2007-01-03 EP disclosed
US-6165944-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed