SCHEMBL5206101

SCHEMBL5206101

CCCC[C](CCC)C(=O)NC(C)CC

nearest known ligand 0.44

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
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FAAH O00519 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
PLA2G2A P14555 3/20 0.36
PLA2G5 P39877 3/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
EPHX1 P07099 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
SCHEMBL5209157 0.89 MMP1 (0.40) MMP1MMP2MMP3MEN1KMT2A
SCHEMBL5208837 0.85 MEN1 (0.50) MEN1KMT2AFAAHMAPK1CES2
SCHEMBL5207984 0.79 MMP1 (0.41) MMP1MMP2MMP3MEN1KMT2A
SCHEMBL9462550 0.76 FAAH (0.59) MMP1MMP2MMP3MEN1KMT2A
SCHEMBL16312318 0.75 MMP1 (0.56) MMP1MMP2MMP3MEN1KMT2A
SCHEMBL5203792 0.74 EPHX1 (0.47) MMP1MEN1KMT2AFAAHMAPK1
SCHEMBL5204606 0.74 CES1 (0.44) MEN1KMT2ACES2CES1CA1
SCHEMBL5208266 0.73 MAPK1 (0.50) MEN1KMT2AFAAHMAPK1CES2
SCHEMBL5208495 0.72 FAAH (0.47) MMP1MMP2MMP3MEN1KMT2A
SCHEMBL23480155 0.71 SMN1; SMN2 (0.51) MMP1MMP2MMP3MEN1KMT2A

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