SCHEMBL5208802

SCHEMBL5208802

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.46
CA12 O43570 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.38
FPR1 P21462 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MLYCD O95822 2/20 0.33
KDM4C Q9H3R0 2/20 0.31
KDM4A O75164 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL5211102 0.90 LMNA (0.45) CA1CA12CA2CA9LMNA
SCHEMBL5210747 0.87 CA1 (0.43) CA1CA12CA2CA9LMNA
SCHEMBL5209653 0.86 ALDH1A1 (0.44) CA1CA12CA2CA9LMNA
SCHEMBL5204058 0.83 MMP1 (0.46) CA1CA12CA2CA9LMNA
SCHEMBL5208033 0.81 CA1 (0.50) CA1CA12CA2CA9LMNA
SCHEMBL12743823 0.81 CA1 (0.50) CA1CA12CA2CA9LMNA
SCHEMBL5211169 0.80 MEN1 (0.36) CA1CA12CA2CA9KDM4C
SCHEMBL4146961 0.79 CA1 (0.48) CA1CA12CA2CA9LMNA
SCHEMBL13630660 0.79 CA1 (0.48) CA1CA12CA2CA9LMNA
SCHEMBL5204038 0.78 MEN1 (0.35) CA1CA12CA2CA9MEN1

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