SCHEMBL8435467

SCHEMBL8435467

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
CNR1 P21554 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA4 P43681 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
GGPS1 O95749 2/20 0.32
FDPS P14324 2/20 0.32
CASP2 P42575 1/20 0.31
MCL1 Q07820 1/20 0.31
HPGD P15428 1/20 0.31
ANPEP P15144 2/20 0.31
RNPEP Q9H4A4 2/20 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
SCHEMBL5210948 0.90 MEN1 (0.42) ALDH1A1MEN1KMT2AHRH4HRH3
SCHEMBL12059632 0.82 CASP2 (0.52) ALDH1A1CNR1LMNAPKMCASP2
SCHEMBL6389655 0.81 FAAH (0.36) HRH4HRH3USP2TSHRCNR1
SCHEMBL8435121 0.81 USP2 (0.37) ALDH1A1HRH4HRH3USP2TSHR
SCHEMBL8435411 0.80 LMNA (0.46) ALDH1A1KMT2ACNR1LMNAPKM
SCHEMBL5907676 0.80 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHRH4HRH3
SCHEMBL27000232 0.79 ALDH1A1 (0.50) ALDH1A1USP2TSHRCNR1LMNA
SCHEMBL6722031 0.78 CYP2D6 (0.44) ALDH1A1HRH4HRH3USP2TSHR
SCHEMBL8435124 0.78 KDM4E (0.46) ALDH1A1HRH4HRH3USP2TSHR
SCHEMBL6722028 0.78 HRH4 (0.40) ALDH1A1HRH4HRH3USP2TSHR

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-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
CN-1158122-A Substituted triazolinones as plant protective agents BASF AG (DE) 1997-08-27 CN 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