SCHEMBL28460437

SCHEMBL28460437

CC(C)(C)OC(=O)NCC(C)(F)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
CTSS P25774 7/20 0.42
CTSK P43235 6/20 0.42
EPHX1 P07099 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CA12 O43570 3/20 0.38
CA14 Q9ULX7 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 1/20 0.38
APLNR P35414 1/20 0.38
CA9 Q16790 1/20 0.37

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
SCHEMBL17141089 0.85 MEN1 (0.46) MEN1GAAKMT2ATDP1CTSS
SCHEMBL18337645 0.83 MEN1 (0.45) MEN1GAAKMT2ATDP1CTSS
SCHEMBL843323 0.82 TDP1 (0.48) MEN1GAAKMT2ATDP1CTSS
SCHEMBL12698678 0.82 TDP1 (0.48) MEN1GAAKMT2ATDP1CTSS
SCHEMBL4202727 0.82 TDP1 (0.48) MEN1GAAKMT2ATDP1CTSS
SCHEMBL1444341 0.80 MEN1 (0.49) MEN1GAAKMT2ATDP1CTSS
SCHEMBL14776705 0.80 MEN1 (0.49) MEN1GAAKMT2ATDP1CTSS
SCHEMBL3229252 0.78 TDP1 (0.46) MEN1GAAKMT2ATDP1CTSK
SCHEMBL28760650 0.78 TDP1 (0.50) MEN1GAAKMT2ATDP1CTSS
SCHEMBL16295315 0.78 MEN1 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115215787-A Somatostatin receptor 5 antagonists and uses thereof 中国科学院上海药物研究所 2022-10-21 CN disclosed
CN-109790145-B Dihydropyrimidine compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2020-09-22 CN disclosed