SCHEMBL11533199

SCHEMBL11533199

CNC(=O)ONC(=O)CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 4/20 0.33
RAB9A P51151 3/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL681118 0.74
SCHEMBL12503912 0.73 HPGD (0.35) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL1515325 0.73 MEN1 (0.40) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL9707335 0.71 TDP1 (0.33) CHRM2CHRM4CHRM5CYP2D6CHRM1
SCHEMBL11971836 0.71 MEN1 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL22906176 0.71 PHF8 (0.48) CYP2C19LMNAALDH1A1TSHR
SCHEMBL876236 0.68 MEN1 (0.32) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL2827132 0.67
SCHEMBL18799386 0.67
SCHEMBL9707584 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4156082-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-22 US disclosed
US-4154732-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-15 US disclosed
US-4154733-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-15 US disclosed
US-4154944-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-15 US disclosed
US-4128581-A INSECTICIDE, MITICIDE, NEMATOCIDE DIAMOND SHAMROCK CORPORATION (US) 1978-12-05 US disclosed
US-4118389-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1978-10-03 US disclosed
US-4028413-A PESTICIDES DIAMOND SHAMROCK CORPORATION (US) 1977-06-07 US disclosed
US-3932471-A CARBAMYLOXIMES, INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1976-01-13 US disclosed