SCHEMBL5207009

SCHEMBL5207009

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4C Q9H3R0 2/20 0.33
KDM4A O75164 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
NPC1 O15118 2/20 0.32
TSHR P16473 2/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL5210747 0.90 CA1 (0.43) LMNACA12CA1CA2CA9
SCHEMBL5211102 0.89 LMNA (0.45) LMNACA12CA1CA2CA9
SCHEMBL5208345 0.86 ALDH1A1 (0.42) LMNACA12CA1CA2CA9
SCHEMBL5203799 0.84 MMP1 (0.44) LMNACA12CA1CA2CA9
SCHEMBL497604 0.84 LMNA (0.73) LMNACA12CA1CA9MMP1
SCHEMBL14229097 0.80 LMNA (0.48) LMNACA12CA1CA2CA9
SCHEMBL5205770 0.80 CA1 (0.45) LMNACA12CA1CA2CA9
SCHEMBL498180 0.78 LMNA (0.70) LMNACA12CA1CA9MMP1
SCHEMBL5208802 0.78 CA1 (0.46) LMNACA12CA1CA2CA9
SCHEMBL27699015 0.78 ALDH1A1 (0.45) LMNACA12CA1CA2CA9

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