SCHEMBL5208266

SCHEMBL5208266

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
MEN1 O00255 1/20 0.50
FAAH O00519 1/20 0.50
KMT2A Q03164 1/20 0.50
EPHX1 P07099 1/20 0.43
LMNA P02545 2/20 0.41
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
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
CA1 P00915 1/20 0.35
MAPT P10636 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
SCHEMBL5208837 0.88 MEN1 (0.50) MAPK1MEN1FAAHKMT2AEPHX1
SCHEMBL5209157 0.85 MMP1 (0.40) MAPK1MEN1FAAHKMT2AEPHX1
SCHEMBL5206143 0.78 MEN1 (0.52) MAPK1MEN1FAAHKMT2AEPHX1
SCHEMBL5204051 0.77 EPHX1 (0.47) MAPK1MEN1FAAHKMT2AEPHX1
SCHEMBL5209058 0.77 CES1 (0.44) EPHX1CES1CES2ALDH1A1TP53
SCHEMBL5212138 0.75 FAAH (0.47) FAAHEPHX1CES1CES2PLA2G2A
SCHEMBL6610344 0.74 FAAH (0.83) MAPK1MEN1FAAHKMT2AEPHX1
SCHEMBL5206101 0.73 MMP1 (0.44) MAPK1MEN1FAAHKMT2AEPHX1
SCHEMBL19459869 0.72 PLA2G2A (0.67) MAPK1MEN1FAAHKMT2AEPHX1
SCHEMBL5204019 0.72 CES1 (0.39) FAAHEPHX1CES1CES2ALDH1A1

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