SCHEMBL5206006

SCHEMBL5206006

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
ALDH1A1 P00352 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
KDM5A P29375 8/20 0.32
KDM4C Q9H3R0 7/20 0.32
PHF8 Q9UPP1 3/20 0.30
KDM4A O75164 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL5204942 0.88 ALDH1A1 (0.36) CA1CA12CA9ALDH1A1
SCHEMBL5204023 0.85 ALDH1A1 (0.36) CA1CA12CA9ALDH1A1MMP1
SCHEMBL5208529 0.83 ALDH1A1 (0.39) CA1CA12CA9ALDH1A1KDM5A
SCHEMBL497600 0.79 CA12 (0.39) CA1CA12CA9ALDH1A1MMP1
SCHEMBL5206437 0.79 LMNA (0.31)
SCHEMBL497601 0.77 CA12 (0.40) CA1CA12CA9ALDH1A1MMP1
SCHEMBL10830752 0.77 CA12 (0.40) CA1CA12CA9ALDH1A1MMP1
SCHEMBL2838402 0.74 ZDHHC20 (0.42) CA1CA12CA9ALDH1A1MMP1
SCHEMBL8031222 0.74 KDM5A (0.46) ALDH1A1KDM5AKDM4CPHF8CES2
SCHEMBL5209092 0.74 CA1 (0.52) CA1CA12CA9ALDH1A1MMP1

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