SCHEMBL11516684

SCHEMBL11516684

COC(=O)C(C)N(C(=O)COC(C)C)c1c(C)cccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
NPSR1 Q6W5P4 2/20 0.55
PLA2G1B P04054 1/20 0.55
HTT P42858 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
RORC P51449 1/20 0.42
NLRP3 Q96P20 5/20 0.37
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 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
SCHEMBL11518618 0.93 MEN1 (0.52) KMT2AMEN1NPSR1PLA2G1BHTT
SCHEMBL11517144 0.93 RORC (0.53) KMT2AMEN1NPSR1PLA2G1BHTT
Mefenoxam SCHEMBL22529 0.89 KMT2A (0.58) KMT2AMEN1NPSR1PLA2G1BHTT
Metalaxyl SCHEMBL5070290 0.89 KMT2A (0.58) KMT2AMEN1NPSR1PLA2G1BHTT
Metalaxyl SCHEMBL30058456 0.89 KMT2A (0.58) KMT2AMEN1NPSR1PLA2G1BHTT
Metalaxyl SCHEMBL20990 0.89 KMT2A (0.58) KMT2AMEN1NPSR1PLA2G1BHTT
Metalaxyl SCHEMBL55820 0.89 KMT2A (0.58) KMT2AMEN1NPSR1PLA2G1BHTT
Metalaxyl SCHEMBL8376541 0.89 KMT2A (0.58) KMT2AMEN1NPSR1PLA2G1BHTT
Metalaxyl SCHEMBL8817105 0.89 KMT2A (0.58) KMT2AMEN1NPSR1PLA2G1BHTT
SCHEMBL11518800 0.88 KMT2A (0.52) KMT2AMEN1NPSR1PLA2G1BHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4151299-A Certain aniline derivatives as microbicidal agents CIBA-GEIGY CORPORATION (US) 1979-04-24 US claimed