SCHEMBL22814733

SCHEMBL22814733

CC(C)(CNC(=O)OC(C)(C)C)COCC(C)(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CTSS P25774 7/20 0.37
CTSK P43235 7/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
EPHX1 P07099 1/20 0.34
KDM4A O75164 1/20 0.34
PTPN11 Q06124 1/20 0.33

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
SCHEMBL1444341 0.86 MEN1 (0.49) MEN1GAAKMT2ATDP1CTSS
SCHEMBL23418149 0.85 MEN1 (0.44) MEN1GAAKMT2ATDP1CTSS
SCHEMBL25789921 0.85 TDP1 (0.41) MEN1GAAKMT2ATDP1CTSS
SCHEMBL16295315 0.84 MEN1 (0.47) MEN1GAAKMT2ATDP1CTSS
SCHEMBL2623719 0.83 TDP1 (0.40) MEN1GAAKMT2ATDP1MAOA
SCHEMBL20057034 0.81 MEN1 (0.38) MEN1GAAKMT2ATDP1CTSS
SCHEMBL21065336 0.80 TDP1 (0.52) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3520746 0.79 TDP1 (0.44) MEN1GAAKMT2ATDP1CTSK
SCHEMBL24716421 0.78 MEN1 (0.38) MEN1GAAKMT2ATDP1CTSS
SCHEMBL18857615 0.78 TDP1 (0.38) MEN1GAAKMT2ATDP1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021136808-A1 CONJUGATES UNDERGOING INTRAMOLECULAR REARRANGEMENTS ASCENDIS PHARMA A/S (DK) 2021-07-08 WO disclosed
WO-2020254617-A1 ANTI-CTLA4 COMPOUNDS WITH LOCALIZED PK PROPERTIES Ascendis Pharma Oncology Division A/S (DK) 2020-12-24 WO disclosed
WO-2020254607-A1 ANTI-CTLA4 COMPOUNDS WITH LOCALIZED PD PROPERTIES Ascendis Pharma Oncology Division A/S (DK) 2020-12-24 WO disclosed
WO-2020254611-A1 ANTI-CTLA4 CONJUGATES Ascendis Pharma Oncology Division A/S (DK) 2020-12-24 WO disclosed