SCHEMBL18734982

SCHEMBL18734982

CCN(CC)C(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 17/20 0.44
▸ DNMT1 P26358 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.43

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
SCHEMBL18738075 0.89 SIRT2 (0.45) KIF11DNMT1SIRT2
SCHEMBL2546539 0.84 KIF11 (0.54) KIF11DNMT1
SCHEMBL29400681 0.84 KIF11 (0.54) KIF11DNMT1
SCHEMBL5967574 0.84 KIF11 (0.54) KIF11DNMT1
SCHEMBL14537462 0.81 KIF11 (0.51) KIF11DNMT1
SCHEMBL2403423 0.81 KIF11 (0.48) KIF11DNMT1
SCHEMBL2403426 0.81 KIF11 (0.48) KIF11DNMT1
SCHEMBL18736930 0.81 KIF11 (0.48) KIF11DNMT1SIRT2
SCHEMBL2466079 0.77 PAM (0.46) KIF11DNMT1
SCHEMBL2672737 0.77 KIF11 (0.50) KIF11DNMT1SIRT2

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
WO-2017060420-A1 PROTECTED FUMARIC ACID-BASED METABOLITES FOR THE TREATMENT OF AUTOIMMUNE DISEASES NEUROVIVE PHARMACEUTICAL AB (SE) 2017-04-13 — — WO disclosed
WO-2017060400-A1 PROTECTED CARBOXYLIC ACID-BASED METABOLITES FOR THE TREATMENT OF DISESASES RELATED TO MITOCHONDRIAL DYSFUNCTIONS NEUROVIVE PHARMACEUTICAL AB (SE) 2017-04-13 — — WO disclosed
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