SCHEMBL6389450

SCHEMBL6389450

COC(=O)N(C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O)C1c2ccccc2-c2ccccc21.C[C@@](N)(CS)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 19/20 0.39
▸ DNMT1 P26358 1/20 0.35

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
SCHEMBL1491452 0.82 CYP1A2 (0.34) KIF11
SCHEMBL5997583 0.82 KIF11 (0.41) KIF11DNMT1
SCHEMBL6389455 0.76 MDM4 (0.51) —
SCHEMBL6389469 0.76 MDM4 (0.51) —
SCHEMBL418100 0.74 CYP1A2 (0.38) —
Trifluoroacetic Acid SCHEMBL4363452 0.73 CTRB1 (0.36) —
SCHEMBL4599750 0.73 CYP1A2 (0.38) —
SCHEMBL1405820 0.73 CYP1A2 (0.38) —
SCHEMBL1405873 0.73 CYP1A2 (0.38) —
SCHEMBL30510259 0.73 CYP1A2 (0.38) —

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
EP-1529037-A2 SYNTHESIS OF 2-ALKYLCYSTEINES, 2-(HYDROXYLATED PHENYL)-4-ALKYLTHIAZOLINE-4-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF Genzyme Corporation (US) 2005-05-11 — — EP disclosed
WO-2003097622-A2 SYNTHESIS OF 2-ALKYLCYSTEINES, 2-(HYDROXYLATED PHENYL)-4-ALKYLTHIAZOLINE-4-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF GENZYME CORPORATION (US) 2003-11-27 — — WO disclosed
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