SCHEMBL31599210

SCHEMBL31599210

CC(C)(C)OC(=O)N(C(=O)CCc1ccccc1)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.44
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DNMT1 P26358 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
SCHEMBL28768828 0.87 KIF11 (0.48) KIF11DNMT1
SCHEMBL24360324 0.84 KIF11 (0.47) KIF11DNMT1
SCHEMBL24360323 0.84 KIF11 (0.47) KIF11DNMT1
SCHEMBL29017260 0.84 KMT2A (0.45) MEN1HTTKMT2AL3MBTL1
SCHEMBL23152634 0.80 KIF11 (0.42) KIF11DNMT1
SCHEMBL8370224 0.79 KIF11 (0.49) KIF11DNMT1
SCHEMBL21084958 0.79 KIF11 (0.49) KIF11DNMT1
SCHEMBL20185747 0.79 KIF11 (0.49) KIF11DNMT1
SCHEMBL29652102 0.78 KIF11 (0.45) KIF11KMT2ADNMT1
SCHEMBL29275117 0.78 TRPV1 (0.44) MEN1HTTKMT2AL3MBTL1

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-114521199-B Cross-linked alginic acid structure 持田制药株式会社 2025-05-30 CN disclosed