SCHEMBL5208876

SCHEMBL5208876

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL5209700 0.89 LMNA (0.36) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL5206764 0.85 ALDH1A1 (0.39) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL11534308 0.85 ALDH1A1 (0.39) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL5203858 0.85 LMNA (0.31) LMNA
SCHEMBL5211825 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5204038 0.82 MEN1 (0.35) CA12CA1CA2CA9
SCHEMBL5209161 0.80 EPHX2 (0.39) ALDH1A1CA12CA1CA9
SCHEMBL5209477 0.76 ALDH1A1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL5208821 0.76 CHRNB2 (0.31)
SCHEMBL5209480 0.76 ALDH1A1 (0.46) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1

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