SCHEMBL8433765

SCHEMBL8433765

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MME P08473 2/20 0.36
ACE P12821 2/20 0.36
CPA1 P15085 2/20 0.36
ACE2 Q9BYF1 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C9 P11712 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
SCHEMBL13975597 0.82 CYP2C9 (0.46) ALDH1A1MMEACECPA1ACE2
SCHEMBL26022388 0.82 CYP2C9 (0.46) ALDH1A1MMEACECPA1ACE2
SCHEMBL8438615 0.79 SMN1; SMN2 (0.40) ALDH1A1L3MBTL1MEN1FAAHMAPK1
SCHEMBL15116382 0.78 GAA (0.40) ALDH1A1MMEACECPA1ACE2
SCHEMBL8437464 0.77
SCHEMBL8437039 0.77 ALDH1A1 (0.39) ALDH1A1MMEACECPA1ACE2
SCHEMBL8438019 0.75 CA12 (0.46) MMP1MMP2MEN1KMT2ACYP2C9
SCHEMBL8145207 0.75 TRPV1 (0.42) ALDH1A1MMEACECPA1ACE2
SCHEMBL8437041 0.75 TRPV1 (0.42) ALDH1A1MMEACECPA1ACE2
SCHEMBL6729268 0.75 ALDH1A1 (0.41) ALDH1A1MMEACECPA1ACE2

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-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US 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