SCHEMBL5206150

SCHEMBL5206150

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
CA1 P00915 5/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
KDM5A P29375 4/20 0.32
KDM4C Q9H3R0 3/20 0.32
MLYCD O95822 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
PHF8 Q9UPP1 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
SCHEMBL5211260 0.88 EPHX2 (0.37) EPHX2CA1CA12CA9ALDH1A1
SCHEMBL5207988 0.86 CA1 (0.35) EPHX2CA1CA12CA9ALDH1A1
SCHEMBL5208269 0.85 EPHX2 (0.50) EPHX2CA1CA12CA9ALDH1A1
SCHEMBL31093174 0.83 EPHX2 (0.47) EPHX2CA1CA12CA9ALDH1A1
SCHEMBL5208844 0.83 EPHX2 (0.52) EPHX2CA1CA12CA9ALDH1A1
SCHEMBL498397 0.79 EPHX2 (0.41) EPHX2CA1CA12CA9ALDH1A1
SCHEMBL5211215 0.79 MEN1 (0.33)
SCHEMBL498398 0.77 EPHX2 (0.41) EPHX2CA1CA12CA9ALDH1A1
SCHEMBL1758802 0.77 EPHX2 (0.45) EPHX2CA1CA12CA9ALDH1A1
SCHEMBL27546045 0.76 EPHX2 (0.53) EPHX2CA1ALDH1A1TP53BCHE

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 6 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-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO disclosed