SCHEMBL24533591

SCHEMBL24533591

COC(=O)C(CCCCNC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
GAA P10253 1/20 0.59
TDP1 Q9NUW8 5/20 0.58
CA1 P00915 8/20 0.52
CA2 P00918 8/20 0.52
CA12 O43570 6/20 0.52
CA9 Q16790 6/20 0.52
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
ATM Q13315 2/20 0.46
NPSR1 Q6W5P4 3/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.42
DRD2 P14416 1/20 0.40

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
SCHEMBL29182100 0.94 MEN1 (0.65) MEN1KMT2AGAATDP1CA1
SCHEMBL14630990 0.89 MEN1 (0.71) MEN1KMT2AGAATDP1CA1
SCHEMBL8634131 0.88 MEN1 (0.56) MEN1KMT2AGAATDP1CA1
SCHEMBL19142371 0.88 MEN1 (0.57) MEN1KMT2AGAATDP1CA1
SCHEMBL8632713 0.88 MEN1 (0.57) MEN1KMT2AGAATDP1CA1
SCHEMBL9493064 0.88 MEN1 (0.56) MEN1KMT2AGAATDP1CA1
SCHEMBL9327481 0.87 MEN1 (0.73) MEN1KMT2AGAATDP1CA1
SCHEMBL8631405 0.86 TDP1 (0.58) MEN1KMT2AGAATDP1CA1
SCHEMBL9321356 0.86 TDP1 (0.58) MEN1KMT2AGAATDP1CA1
SCHEMBL12755039 0.86 MEN1 (0.58) MEN1KMT2AGAATDP1CA1

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
WO-2022133281-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. (US) 2022-06-23 WO disclosed