SCHEMBL25827367

SCHEMBL25827367

CCOC(=O)CNC(=O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.58
TDP1 Q9NUW8 1/20 0.45
CTSK P43235 2/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 4/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
EPHX1 P07099 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL7405019 0.91 GAA (0.64) GAATDP1CTSKMAOAMAOB
SCHEMBL15728746 0.91 CTSK (0.50) GAATDP1CTSKMAOAMAOB
SCHEMBL8032622 0.88 GAA (0.69) GAATDP1CTSKMAOAMAOB
SCHEMBL1784924 0.87 CTSK (0.51) GAATDP1CTSKMAOAMAOB
SCHEMBL156233 0.86 TDP1 (0.46) GAATDP1CTSKMAOAMAOB
SCHEMBL6355605 0.85 GAA (0.54) GAATDP1CTSKMAOAMAOB
SCHEMBL1936376 0.85 ALDH1A1 (0.52) GAATDP1CTSKMAOAMAOB
SCHEMBL4578241 0.83 MEN1 (0.47) GAATDP1CTSKMAOAMAOB
SCHEMBL432412 0.83 MAOA (0.51) GAATDP1CTSKMAOAMAOB
SCHEMBL9555151 0.82 GAA (0.53) GAATDP1CTSKMAOAMAOB

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-2023125792-A1 MULTI-SUBSTITUTED URACIL DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 杭州奥默医药股份有限公司 2023-07-06 WO disclosed