SCHEMBL5203799

SCHEMBL5203799

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP8 P22894 1/20 0.44
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA9 Q16790 3/20 0.39
LMNA P02545 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CA2 P00918 1/20 0.36
KDM4C Q9H3R0 4/20 0.34
KDM5A P29375 3/20 0.34
KDM4A O75164 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34

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
SCHEMBL5204058 0.92 MMP1 (0.46) MMP1MMP2MMP3MMP8CA12
SCHEMBL5208345 0.92 ALDH1A1 (0.42) MMP1MMP2MMP3MMP8CA12
SCHEMBL12640140 0.88 MMP1 (0.48) MMP1MMP2MMP3MMP8CA12
SCHEMBL14229999 0.86 MMP1 (0.50) MMP1MMP2MMP3MMP8CA12
SCHEMBL5210747 0.86 CA1 (0.43) CA12CA1CA9LMNAALDH1A1
SCHEMBL5206232 0.86 MMP1 (0.48) MMP1MMP2MMP3MMP8CA12
SCHEMBL5205509 0.84 MMP1 (0.44) MMP1MMP2MMP3MMP8CA12
SCHEMBL5207009 0.84 LMNA (0.52) MMP1MMP2MMP3MMP8CA12
SCHEMBL11776945 0.83 EPHX2 (0.46) MMP1MMP2MMP3MMP8KDM4C
SCHEMBL5503761 0.83 GGPS1 (0.45) MMP1MMP2MMP3MMP8CA12

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