SCHEMBL29579403

SCHEMBL29579403

CCO[C@H]1CO[C@H](COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.40
PRMT5 O14744 2/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
KLK5 Q9Y337 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
STS P08842 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
NAMPT P43490 1/20 0.37
USP30 Q70CQ3 1/20 0.37
PTPN1 P18031 2/20 0.37
RORC P51449 1/20 0.37
CDC25B P30305 1/20 0.37
PARP1 P09874 1/20 0.37
TACR1 P25103 1/20 0.36

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
SCHEMBL30987119 0.92 GPR119 (0.44) KLK7PRMT5GAATHRBSMN1; SMN2
SCHEMBL30987047 0.92 GPR119 (0.44) KLK7PRMT5GAATHRBSMN1; SMN2
SCHEMBL26782096 0.90 GAA (0.39) KLK7PRMT5GAATHRBSMN1; SMN2
SCHEMBL28989395 0.90 GAA (0.39) KLK7PRMT5GAATHRBSMN1; SMN2
SCHEMBL29579552 0.87 GAA (0.38) KLK7PRMT5GAATHRBSMN1; SMN2
SCHEMBL29579997 0.87 RORC (0.40) KLK7PRMT5GAATHRBSMN1; SMN2
SCHEMBL28712137 0.87 GAA (0.39) KLK7PRMT5GAATHRBSMN1; SMN2
SCHEMBL31536742 0.87 STS (0.41) KLK7PRMT5GAATHRBSMN1; SMN2
SCHEMBL28709747 0.87 USP30 (0.38) KLK7PRMT5GAATHRBSMN1; SMN2
SCHEMBL31536752 0.86 GAA (0.41) KLK7GAATHRBSMN1; SMN2KLK5

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-114106005-A Nitrile derivative as dipeptidyl peptidase 1 inhibitor and application thereof 四川海思科制药有限公司 2022-03-01 CN disclosed