SCHEMBL5208529

SCHEMBL5208529

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
KDM5A P29375 9/20 0.36
KDM4C Q9H3R0 9/20 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
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM5C P41229 1/20 0.32
KDM5B Q9UGL1 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
SCHEMBL5204023 0.91 ALDH1A1 (0.36) ALDH1A1KDM5AKDM4CPHF8KDM4A
SCHEMBL5212087 0.91 ALDH1A1 (0.36) ALDH1A1KDM5AKDM4CLMNAMEN1
SCHEMBL5206006 0.83 CA1 (0.36) ALDH1A1KDM5AKDM4CPHF8KDM4A
SCHEMBL5208165 0.83 LMNA (0.40) ALDH1A1LMNAMEN1HTTKMT2A
SCHEMBL8031222 0.81 KDM5A (0.46) ALDH1A1KDM5AKDM4CPHF8MEN1
SCHEMBL5204834 0.79 ALDH1A1 (0.38) ALDH1A1CA12CA9MEN1HTT
SCHEMBL24288672 0.77 CES2 (0.41) ALDH1A1KDM5AKDM4CPHF8LMNA
SCHEMBL24288669 0.77 CES2 (0.41) ALDH1A1KDM5AKDM4CPHF8LMNA
SCHEMBL5206232 0.77 MMP1 (0.48) ALDH1A1KDM5AKDM4CPHF8CA12
SCHEMBL1776791 0.76 CES2 (0.39) ALDH1A1KDM5AKDM4CPHF8MEN1

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