SCHEMBL8436376

SCHEMBL8436376

[CH2]CC(=O)NCC(C)CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL6389655 0.83 FAAH (0.36) TSHRHRH4HRH3CYP2D6CYP2C19
SCHEMBL25963585 0.83 MEN1 (0.43) TSHRHRH4HRH3HDAC7HDAC8
SCHEMBL17482389 0.80 TSHR (0.38) TSHRHRH4HRH3HDAC7HDAC8
SCHEMBL8436493 0.79 TSHR (0.41) TSHRHRH4HRH3HDAC7HDAC8
SCHEMBL5907613 0.78 ALDH1A1 (0.38) TSHRHRH4HRH3HDAC7HDAC8
SCHEMBL25963587 0.77 TSHR (0.35) TSHRHRH4HRH3HDAC7HDAC8
SCHEMBL25963591 0.77 ALDH1A1 (0.37) TSHRHRH4HRH3ALDH1A1POLB
SCHEMBL6722463 0.77 HRH4 (0.43) TSHRHRH4HRH3HDAC7HDAC8
SCHEMBL8436494 0.77 TSHR (0.42) TSHRHRH4HRH3HDAC7HDAC8
SCHEMBL6722464 0.77 CYP2D6 (0.56) TSHRHRH4HRH3HDAC7HDAC8

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