SCHEMBL5204834

SCHEMBL5204834

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL5204023 0.89 ALDH1A1 (0.36) ALDH1A1MEN1HTTKMT2AL3MBTL1
SCHEMBL5212087 0.89 ALDH1A1 (0.36) ALDH1A1HPGDMEN1HTTKMT2A
SCHEMBL5204942 0.83 ALDH1A1 (0.36) ALDH1A1HPGDCA12CA2CA9
SCHEMBL5209246 0.83 MEN1 (0.36) MEN1HTTKMT2AL3MBTL1
SCHEMBL5208529 0.79 ALDH1A1 (0.39) ALDH1A1MEN1HTTKMT2AL3MBTL1
SCHEMBL16941853 0.79 ALDH1A1 (0.39) ALDH1A1HPGDMEN1HTTKMT2A
SCHEMBL2041643 0.79 ALDH1A1 (0.59) ALDH1A1HPGDHTTL3MBTL1CA12
SCHEMBL22900144 0.75 ALDH1A1 (0.36) ALDH1A1HPGDCA12CA2CA9
SCHEMBL5208633 0.74 MEN1 (0.33) MEN1HTTKMT2AL3MBTL1CA12
SCHEMBL497616 0.74 CA12 (0.34) ALDH1A1HPGDCA12CA2CA9

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 5 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
CN-1250447-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AG (DE) 2000-04-12 CN 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