SCHEMBL5209700

SCHEMBL5209700

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA4 P43681 1/20 0.33
KDM4C Q9H3R0 2/20 0.32
KDM4A O75164 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
EPHX2 P34913 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
SCHEMBL5208876 0.89 ALDH1A1 (0.38) LMNAALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL5209126 0.86 LMNA (0.38) LMNAALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL5209578 0.84 EPHX2 (0.36) LMNAALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL5203563 0.84 EPHX2 (0.35) LMNACHRNB2CHRNB4CHRNA4KDM4C
SCHEMBL5206114 0.83 EPHX2 (0.41) LMNAALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL11534308 0.82 ALDH1A1 (0.39) LMNAALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL5206764 0.82 ALDH1A1 (0.39) LMNAALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL5207687 0.78 CHRNB2 (0.37) LMNAALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL5211212 0.77 CHRNB2 (0.40) LMNAALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL5210747 0.76 CA1 (0.43) LMNAALDH1A1CHRNB2CHRNB4CHRNA4

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