SCHEMBL6679504

SCHEMBL6679504

CC(C)(C)OC(=O)NCC(=O)O.[Ar]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
EGLN1 Q9GZT9 2/20 0.43
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CA2 P00918 4/20 0.41
CA12 O43570 3/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CA1 P00915 3/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
CA9 Q16790 2/20 0.40
EPHX1 P07099 1/20 0.40
KDM4A O75164 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
SCHEMBL17906 0.98 MEN1 (0.52) MEN1KMT2AGAATDP1MAOA
SCHEMBL6603412 0.96 MEN1 (0.50) MEN1KMT2AGAATDP1MAOA
Ammonia Solution, Strong SCHEMBL28788409 0.96 MEN1 (0.50) MEN1KMT2AGAATDP1MAOA
Bicarbonate SCHEMBL28028120 0.96 MEN1 (0.50) MEN1KMT2AGAATDP1MAOA
Hydrochloric Acid SCHEMBL77819 0.96 MEN1 (0.50) MEN1KMT2AGAATDP1MAOA
Methane SCHEMBL1486197 0.96 MEN1 (0.50) MEN1KMT2AGAATDP1MAOA
SCHEMBL9464092 0.96 MEN1 (0.50) MEN1KMT2AGAATDP1MAOA
Bicarbonate SCHEMBL28028118 0.96 MEN1 (0.50) MEN1KMT2AGAATDP1MAOA
Benzene SCHEMBL9601031 0.94 MEN1 (0.49) MEN1KMT2AGAATDP1MAOA
Cyclopentane SCHEMBL8727534 0.92 EPHX1 (0.49) MEN1KMT2AGAATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105371-B1 NOVEL ARYL SULPHONAMIDE AMINO ACID ESTERS AND ANALOGUES BAYER HEALTHCARE AG (DE) 2004-11-03 EP disclosed
EP-1105371-A2 NOVEL ARYL SULPHONAMIDE AMINO ACID ESTERS AND ANALOGUES BAYER AG (DE) 2001-06-13 EP disclosed
WO-2000010968-A2 NOVEL ARYL SULPHONAMIDE AMINO ACID ESTERS AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-02 WO disclosed