SCHEMBL8632713

SCHEMBL8632713

COC(=O)C(CCCNC(=O)OC(C)(C)C)C(=O)OCO

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 1/20 0.57
TDP1 Q9NUW8 2/20 0.53
CA12 O43570 7/20 0.45
CA1 P00915 7/20 0.45
CA2 P00918 7/20 0.45
CA9 Q16790 6/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 1/20 0.36
EPHX1 P07099 1/20 0.36
HTT P42858 1/20 0.36
DRD2 P14416 2/20 0.36
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL24533591 0.88 MEN1 (0.59) MEN1KMT2AGAATDP1CA12
SCHEMBL14630990 0.87 MEN1 (0.71) MEN1KMT2AGAATDP1CA12
SCHEMBL19142371 0.86 MEN1 (0.57) MEN1KMT2AGAATDP1CA12
SCHEMBL4474428 0.84 MEN1 (0.62) MEN1KMT2AGAATDP1CA12
SCHEMBL8634131 0.83 MEN1 (0.56) MEN1KMT2AGAATDP1CA12
SCHEMBL29182100 0.82 MEN1 (0.65) MEN1KMT2AGAATDP1CA12
SCHEMBL14646984 0.82 MEN1 (0.56) MEN1KMT2AGAATDP1CA12
SCHEMBL6534839 0.81 MEN1 (0.59) MEN1KMT2AGAATDP1CA12
SCHEMBL14630656 0.80 MEN1 (0.81) MEN1KMT2AGAATDP1CA12
SCHEMBL9493064 0.79 MEN1 (0.56) MEN1KMT2AGAATDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 US disclosed
US-5656656-A Tartronic acids, their acetalic ethers and O-esters DOMPE FARMACEUTICI S.P.A. (IT) 1997-08-12 US disclosed
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP disclosed
EP-0667850-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS. DOMPE FARMACEUTICI SPA (IT) 1995-08-23 EP disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed