SCHEMBL8634131

SCHEMBL8634131

COC(=O)C(CCNC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 2/20 0.50
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 3/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
EPHX1 P07099 1/20 0.42
CA14 Q9ULX7 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
IDO1 P14902 1/20 0.40
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNA5 P22460 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL29182094 0.93 MEN1 (0.61) MEN1GAAKMT2ATDP1CA12
SCHEMBL24496901 0.92 MEN1 (0.51) MEN1GAAKMT2ATDP1CA12
SCHEMBL24533591 0.88 MEN1 (0.59) MEN1GAAKMT2ATDP1CA12
SCHEMBL18760388 0.86 MEN1 (0.53) MEN1GAAKMT2ATDP1CA12
SCHEMBL28951028 0.85 MEN1 (0.69) MEN1GAAKMT2ATDP1CA12
SCHEMBL8026936 0.84 MEN1 (0.54) MEN1GAAKMT2ATDP1CA12
SCHEMBL1845891 0.84 MEN1 (0.54) MEN1GAAKMT2ATDP1CA12
SCHEMBL24224318 0.84 MEN1 (0.54) MEN1GAAKMT2ATDP1CA12
SCHEMBL21056054 0.84 MEN1 (0.54) MEN1GAAKMT2ATDP1CA12
SCHEMBL1845889 0.84 MEN1 (0.54) MEN1GAAKMT2ATDP1CA12

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
CN-114591351-B Polycyclic compound and preparation method and application thereof 成都科岭源医药技术有限公司 2023-12-05 CN disclosed
WO-2022117090-A1 POLYCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 成都科岭源医药技术有限公司 2022-06-09 WO disclosed
CN-114591351-A Polycyclic compound and preparation method and application thereof 成都科岭源医药技术有限公司 2022-06-07 CN disclosed
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