SCHEMBL5204935

SCHEMBL5204935

[CH2]CC(=O)NCCCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 2/20 0.39
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CASP2 P42575 1/20 0.35
TSHR P16473 1/20 0.34
NAAA Q02083 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
FAAH O00519 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.31
MLYCD O95822 1/20 0.31
PTGS1 P23219 1/20 0.31
KCNH2 Q12809 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL5204830 0.84 CASP2 (0.41) MEN1KMT2ASIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL5212082 0.82 TSHR (0.43) MEN1KMT2ASIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL7750774 0.81 MEN1 (0.67) MEN1KMT2ASIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL13374398 0.81 TSHR (0.48) MEN1KMT2ASIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL13374399 0.81 CASP2 (0.45) MEN1KMT2ASIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL19220438 0.81 MEN1 (0.43) MEN1KMT2ASIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL13374400 0.81 MEN1 (0.43) MEN1KMT2ASIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL3950393 0.79 ALDH1A1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2CASP2
SCHEMBL21081551 0.79 FAAH (0.47) MEN1KMT2AALDH1A1CASP2TSHR
SCHEMBL7751825 0.79 MEN1 (0.41) MEN1KMT2ASIGMAR1ALDH1A1SMN1; SMN2

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 8 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-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO disclosed