SCHEMBL28660296

SCHEMBL28660296

CN[C@@H](C)C(=O)OOC(=O)[C@H](C)NC

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
CA12 O43570 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
SCHEMBL14210179 0.87
SCHEMBL22556956 0.82 CA14 (0.37) CA14SMN1; SMN2CHRNB2CHRNA4CA12
SCHEMBL22556958 0.82 CA14 (0.37) CA14SMN1; SMN2CHRNB2CHRNA4CA12
SCHEMBL709174 0.82
SCHEMBL801212 0.82
SCHEMBL238192 0.82
Hydrochloric Acid SCHEMBL2785010 0.80
Hydrochloric Acid SCHEMBL238191 0.80
Bromide SCHEMBL10783307 0.80
Hydrochloric Acid SCHEMBL3943090 0.80

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-113710674-B Diastereoselective process for preparing maytansinoids containing thiols or disulfides and intermediates thereof 意迪那有限公司 2024-03-15 CN disclosed
CN-113710674-A Diastereoselective process for preparing thiol-or disulfide-containing maytansinoids and intermediates thereof 因德纳有限公司 2021-11-26 CN disclosed