SCHEMBL29720250

SCHEMBL29720250

CCCC(=O)ON(CCNC(=O)OC(C)(C)C)[C@H](C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 2/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
CTSK P43235 5/20 0.43
CTSS P25774 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
IDO1 P14902 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
DRD2 P14416 1/20 0.38
SYK P43405 1/20 0.38
KCNA5 P22460 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
SCHEMBL20014854 0.73 MTNR1A (0.61) CTSKCTSSMEN1GAAKMT2A
SCHEMBL10317785 0.72 MEN1 (0.50) GPR88CTSKCTSSMEN1GAA
SCHEMBL10317783 0.72 MEN1 (0.50) GPR88CTSKCTSSMEN1GAA
SCHEMBL10318441 0.72 MEN1 (0.50) GPR88CTSKCTSSMEN1GAA
SCHEMBL27461037 0.71 MEN1 (0.49) GPR88CKS1BSKP1SKP2CTSK
SCHEMBL16084764 0.71 RIPK1 (0.53) GPR88CTSKCTSSMEN1GAA
SCHEMBL1521024 0.71 RIPK1 (0.53) GPR88CTSKCTSSMEN1GAA
SCHEMBL10323702 0.70 MEN1 (0.58) CTSKCTSSMEN1GAAKMT2A
SCHEMBL27334285 0.70 CKS1B (0.39) CKS1BSKP1SKP2MEN1GAA
SCHEMBL3047789 0.70 MEN1 (0.45) GPR88CTSKCTSSMEN1GAA

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
CN-111943945-B Suvorexant intermediate and preparation method thereof 上海应用技术大学 2022-07-12 CN disclosed