SCHEMBL5209161

SCHEMBL5209161

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 1/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
KDM5A P29375 6/20 0.33
KDM4C Q9H3R0 5/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
PHF8 Q9UPP1 1/20 0.31

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
SCHEMBL5206114 0.91 EPHX2 (0.41) EPHX2ALDH1A1CA12CA1CA9
SCHEMBL5211825 0.89 ALDH1A1 (0.33) EPHX2ALDH1A1
SCHEMBL5208269 0.87 EPHX2 (0.50) EPHX2ALDH1A1CA12CA1CA9
SCHEMBL14230055 0.87 EPHX2 (0.42) EPHX2ALDH1A1CA12CA1CA9
SCHEMBL5207988 0.85 CA1 (0.35) EPHX2ALDH1A1CA12CA1CA9
SCHEMBL5203858 0.83 LMNA (0.31)
SCHEMBL5209578 0.82 EPHX2 (0.36) EPHX2ALDH1A1KDM5AKDM4C
SCHEMBL14229082 0.80 EPHX2 (0.50) EPHX2KDM5AKDM4CCES2CES1
SCHEMBL5208876 0.80 ALDH1A1 (0.38) ALDH1A1CA12CA1CA9
SCHEMBL498289 0.79 CA1 (0.36) EPHX2ALDH1A1CA12CA1CA9

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