SCHEMBL28433286

SCHEMBL28433286

C=CCN(N)OC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
DPP4 P27487 1/20 0.36
ELANE P08246 1/20 0.32

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
SCHEMBL23752124 0.77 HDAC6 (0.46) HDAC6HDAC1HDAC2DPP4
SCHEMBL4565939 0.75
SCHEMBL1810981 0.74 HDAC6 (0.36) HDAC6HDAC1HDAC2DPP4
SCHEMBL2622073 0.69 HDAC6 (0.38) HDAC6HDAC1HDAC2DPP4
SCHEMBL956549 0.69 ALDH1A1 (0.42) HDAC6HDAC1HDAC2DPP4
SCHEMBL17995253 0.69 HDAC6 (0.46) HDAC6HDAC1HDAC2ELANE
SCHEMBL2754735 0.68 HDAC6 (0.37) HDAC6HDAC1HDAC2DPP4
SCHEMBL17162509 0.68 HDAC6 (0.37) HDAC6HDAC1HDAC2DPP4
SCHEMBL372321 0.67 SMN1; SMN2 (0.40) HDAC6HDAC1HDAC2ELANE
SCHEMBL22604686 0.67 HDAC6 (0.36) HDAC6HDAC1HDAC2DPP4

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-111315747-B Dihydropyrazolopyrimidine compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-05-02 CN disclosed
CN-111315747-A Dihydropyrazolone pyrimidine compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2020-06-19 CN disclosed