SCHEMBL5209604

SCHEMBL5209604

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA4 P43681 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.33
KDM4C Q9H3R0 2/20 0.30
KDM4A O75164 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL7555388 0.92 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA4ALDH1A1KDM4C
SCHEMBL5208413 0.86 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA4ALDH1A1
SCHEMBL14600035 0.86 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA4ALDH1A1LMNA
SCHEMBL5211212 0.82 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA4ALDH1A1LMNA
SCHEMBL13034569 0.80 ALDH1A1 (0.60) CHRNB2CHRNB4CHRNA4ALDH1A1LMNA
SCHEMBL5209102 0.80 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA4ALDH1A1LMNA
SCHEMBL13895336 0.78 CYP1A2 (0.42) CHRNB2CHRNB4CHRNA4ALDH1A1LMNA
SCHEMBL15803261 0.78 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA4ALDH1A1LMNA
SCHEMBL23324950 0.77 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA4ALDH1A1LMNA
SCHEMBL13895331 0.77 PAOX (0.45) CHRNB2CHRNB4CHRNA4ALDH1A1LMNA

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