Sugi Predict

Sugi Predict / Compounds / SCHEMBL28579231

SCHEMBL28579231

SCHEMBL28579231

CNC(=O)C(OC)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.33
▸ CA12 O43570 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30

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
SCHEMBL13446712 0.87 ALDH1A1 (0.35) SMN1; SMN2KMT2AALDH1A1
SCHEMBL275279 0.81 SMN1; SMN2 (0.48) SMN1; SMN2CA14CA12KMT2AALDH1A1
SCHEMBL2727651 0.74 SMN1; SMN2 (0.42) SMN1; SMN2CA14CA12KMT2AALDH1A1
SCHEMBL25657379 0.74 SMN1; SMN2 (0.42) SMN1; SMN2CA14CA12KMT2AALDH1A1
SCHEMBL276322 0.74 KMT2A (0.43) SMN1; SMN2CA14CA12KMT2AALDH1A1
SCHEMBL12703338 0.72 SMN1; SMN2 (0.42) SMN1; SMN2CA14CA12KMT2AALDH1A1
SCHEMBL18609320 0.72 SMN1; SMN2 (0.42) SMN1; SMN2CA14CA12KMT2AALDH1A1
SCHEMBL2289696 0.72 SMN1; SMN2 (0.40) SMN1; SMN2CA14CA12KMT2AALDH1A1
SCHEMBL5840367 0.72 SMN1; SMN2 (0.40) SMN1; SMN2CA14CA12KMT2AALDH1A1
SCHEMBL5196342 0.70 — —

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-112888696-A Exonucleotidase inhibitors and methods of use thereof 卡利泰拉生物科技公司 2021-06-01 — — CN disclosed