SCHEMBL5203563

SCHEMBL5203563

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
KDM4C Q9H3R0 2/20 0.34
KDM4A O75164 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA4 P43681 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 1/20 0.30
LTB4R2 Q9NPC1 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
SCHEMBL5204038 0.88 MEN1 (0.35) EPHX2MEN1KMT2ACA1CA12
SCHEMBL5209700 0.84 LMNA (0.36) EPHX2KDM4CKDM4APHF8KDM2A
SCHEMBL5209042 0.82 LMNA (0.40) EPHX2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL5210747 0.80 CA1 (0.43) KDM4CKDM4APHF8KDM2ACA1
SCHEMBL5206518 0.79 CA1 (0.37) MEN1KMT2ACA1CA12CA2
SCHEMBL5204001 0.79 EPHX2 (0.47) EPHX2KDM4CKDM4APHF8KDM2A
SCHEMBL5209772 0.78 CHRNB2 (0.37) KDM4CKDM4APHF8KDM2AMEN1
SCHEMBL5208844 0.78 EPHX2 (0.52) EPHX2KDM4CKDM4APHF8CA1
SCHEMBL5207009 0.76 LMNA (0.52) KDM4CKDM4APHF8KDM2ACA1
SCHEMBL5209102 0.75 CHRNB2 (0.36) KDM4CKDM4APHF8KDM2AMEN1

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
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
CN-1250447-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AG (DE) 2000-04-12 CN 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