SCHEMBL8435786

SCHEMBL8435786

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 16/20 0.45
TAS1R1 Q7RTX1 16/20 0.45
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
CA9 Q16790 1/20 0.39
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL422584 0.85
SCHEMBL8367402 0.79 TAS1R3 (0.46) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL6717836 0.79 TAS1R3 (0.46) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL6717845 0.79 TAS1R3 (0.50) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL8437453 0.78 TAS1R3 (0.42) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL292770 0.77 TAS1R3 (0.45) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL292771 0.77 TAS1R3 (0.49) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL6566575 0.77 TAS1R3 (0.50) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL31402450 0.77 TGFBR1 (0.44) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL11221780 0.76 TAS1R3 (0.40) TAS1R3TAS1R1CA12CA1CA2

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 3 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
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO disclosed