SCHEMBL5208844

SCHEMBL5208844

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
ALDH1A1 P00352 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
LTB4R2 Q9NPC1 1/20 0.36
KDM5A P29375 8/20 0.36
KDM4C Q9H3R0 8/20 0.36
PHF8 Q9UPP1 3/20 0.34
KDM4A O75164 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL5208269 0.91 EPHX2 (0.50) EPHX2ALDH1A1BCHEACHELTB4R2
SCHEMBL5204001 0.91 EPHX2 (0.47) EPHX2ALDH1A1BCHEACHELTB4R2
SCHEMBL5206114 0.88 EPHX2 (0.41) EPHX2ALDH1A1LTB4R2KDM5AKDM4C
SCHEMBL5209042 0.83 LMNA (0.40) EPHX2ALDH1A1BCHEACHELTB4R2
SCHEMBL5206150 0.83 EPHX2 (0.45) EPHX2ALDH1A1BCHEACHELTB4R2
SCHEMBL27699029 0.81 ALDH1A1 (0.50) EPHX2ALDH1A1LTB4R2CA1LMNA
SCHEMBL23183620 0.79 EPHX2 (0.60) EPHX2ALDH1A1KDM5AKDM4CLMNA
SCHEMBL5205990 0.79 EPHX2 (0.42) EPHX2ALDH1A1BCHEACHELTB4R2
SCHEMBL31093174 0.79 EPHX2 (0.47) EPHX2ALDH1A1BCHEACHELTB4R2
SCHEMBL5209161 0.79 EPHX2 (0.39) EPHX2ALDH1A1KDM5AKDM4CPHF8

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