SCHEMBL5204058

SCHEMBL5204058

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP8 P22894 1/20 0.46
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA9 Q16790 3/20 0.40
CA2 P00918 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
GGPS1 O95749 3/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL5203799 0.92 MMP1 (0.44) MMP1MMP2MMP3MMP8CA12
SCHEMBL5209653 0.89 ALDH1A1 (0.44) MMP1MMP2MMP3MMP8CA12
SCHEMBL14229999 0.87 MMP1 (0.50) MMP1MMP2MMP3MMP8CA12
SCHEMBL5205509 0.86 MMP1 (0.44) MMP1MMP2MMP3MMP8CA12
SCHEMBL12640140 0.86 MMP1 (0.48) MMP1MMP2MMP3MMP8CA12
SCHEMBL2046999 0.85 MMP1 (0.50) MMP1MMP2MMP3MMP8CA12
SCHEMBL5208802 0.83 CA1 (0.46) CA12CA1CA9CA2LMNA
SCHEMBL5208345 0.83 ALDH1A1 (0.42) MMP1MMP2MMP3MMP8CA12
SCHEMBL5208148 0.82 ALDH1A1 (0.52) MMP1MMP2MMP3MMP8CA12
SCHEMBL5211102 0.82 LMNA (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