SCHEMBL8433552

SCHEMBL8433552

C[CH]C(=O)NCC(C)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.45
CNR1 P21554 4/20 0.45
FAAH O00519 1/20 0.45
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
NAMPT P43490 2/20 0.32

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
SCHEMBL8436375 0.83 TSHR (0.38) CNR2CNR1FAAHPPARGPPARD
SCHEMBL799424 0.81 TSHR (0.48) CNR2CNR1FAAHPPARGPPARD
SCHEMBL8437854 0.80 LMNA (0.38) CNR2CNR1FAAHPPARGPPARD
SCHEMBL6635135 0.79
SCHEMBL8435464 0.79 HRH4 (0.35) CNR2CNR1FAAHHRH4HRH3
SCHEMBL2820655 0.77 EPHX1 (0.45) CNR2CNR1FAAHCYP2D6CYP2C19
SCHEMBL8435742 0.76 CNR2 (0.37) CNR2CNR1PPARGPPARDPPARA
SCHEMBL2332536 0.75
SCHEMBL14088906 0.75
SCHEMBL22311455 0.75

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