SCHEMBL8437452

SCHEMBL8437452

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 16/20 0.52
TAS1R1 Q7RTX1 16/20 0.52
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL5206239 0.88 TAS1R3 (0.41) TAS1R3TAS1R1CA1CA2SMN1; SMN2
SCHEMBL5204535 0.87 CA12 (0.46) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL6566575 0.82 TAS1R3 (0.50) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL5208329 0.78 TAS1R3 (0.38) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL4897888 0.77 TAS1R3 (0.40) TAS1R3TAS1R1HDAC7HDAC8HDAC6
SCHEMBL8433880 0.77 ALDH1A1 (0.43) TAS1R3TAS1R1LMNAHPGDSMN1; SMN2
SCHEMBL8367402 0.76 TAS1R3 (0.46) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL6717836 0.76 TAS1R3 (0.46) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL6717845 0.76 TAS1R3 (0.50) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL8435786 0.74 TAS1R3 (0.45) 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 2 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