SCHEMBL8438019

SCHEMBL8438019

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP8 P22894 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
SIGMAR1 Q99720 1/20 0.41
HTT P42858 1/20 0.38
HPGD P15428 4/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.35
DNM1 Q05193 1/20 0.34
PKM P14618 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34

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
SCHEMBL8437453 0.87 TAS1R3 (0.42) CA12CA1CA2MMP1MMP2
SCHEMBL11892766 0.79 LMNA (0.53) CA12CA1CA2MMP1MMP2
SCHEMBL8437464 0.78
SCHEMBL7424235 0.78 DNM1 (0.46) CA12CA1CA2MMP1MMP2
SCHEMBL5141961 0.77 CA12 (0.48) CA12CA1CA2MMP1MMP2
SCHEMBL941953 0.75 LMNA (0.47) CA12CA1CA2MMP1MMP2
SCHEMBL19520081 0.75 HDAC3 (0.50) CA12CA1CA2MMP1MMP2
SCHEMBL8365135 0.75 CA12 (0.46) CA12CA1CA2MMP1MMP2
SCHEMBL14902226 0.75 CA12 (0.46) CA12CA1CA2MMP1MMP2
SCHEMBL8435642 0.75 TAS1R3 (0.36) CA1CA2MMP1MMP2KMT2A

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