SCHEMBL5208837

SCHEMBL5208837

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
FAAH O00519 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
EPHX1 P07099 1/20 0.43
CTSK P43235 1/20 0.40
CES1 P23141 2/20 0.39
CES2 O00748 2/20 0.39
PLA2G2A P14555 3/20 0.38
PLA2G5 P39877 3/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
CA1 P00915 1/20 0.35

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
SCHEMBL5208266 0.88 MAPK1 (0.50) MEN1FAAHMAPK1KMT2AEPHX1
SCHEMBL5206101 0.85 MMP1 (0.44) MEN1FAAHMAPK1KMT2AEPHX1
SCHEMBL5206143 0.78 MEN1 (0.52) MEN1FAAHMAPK1KMT2AEPHX1
SCHEMBL5203792 0.77 EPHX1 (0.47) MEN1FAAHMAPK1KMT2AEPHX1
SCHEMBL5204606 0.77 CES1 (0.44) MEN1KMT2AEPHX1CES1CES2
SCHEMBL5208495 0.75 FAAH (0.47) MEN1FAAHKMT2AEPHX1CES1
SCHEMBL6610344 0.74 FAAH (0.83) MEN1FAAHMAPK1KMT2AEPHX1
SCHEMBL2162603 0.74 CES2 (0.50) MEN1FAAHMAPK1KMT2AEPHX1
SCHEMBL5209157 0.73 MMP1 (0.40) MEN1FAAHMAPK1KMT2AEPHX1
SCHEMBL5208522 0.72 CES1 (0.39) MEN1FAAHKMT2AEPHX1CES1

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