SCHEMBL6400709

SCHEMBL6400709

COC[C@@H](COC(C)=S)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 1/20 0.40
CA12 O43570 3/20 0.38
CA9 Q16790 2/20 0.38
ATM Q13315 1/20 0.36
CTSK P43235 6/20 0.36
CYP2D6 P10635 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
CTSS P25774 2/20 0.35
AAK1 Q2M2I8 3/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL3389057 0.87 CA1 (0.49) SYKCA1CA2CA7ATM
SCHEMBL30175074 0.87 CA1 (0.39) SYKCA1CA2CA7CA12
SCHEMBL6608157 0.86 SMN1; SMN2 (0.44) SYKCA1CA2CA7CA12
SCHEMBL6983670 0.86 SMN1; SMN2 (0.44) SYKCA1CA2CA7CA12
SCHEMBL6605636 0.84 AAK1 (0.49) CA1CA2CA7CA12CA9
SCHEMBL6400733 0.84 CTSK (0.44) SYKCA1CA2CA7CTSK
SCHEMBL2010010 0.81 CYP1A2 (0.39) SYKCA1CA2CA7CA12
SCHEMBL29890909 0.81 CA1 (0.51) CA1CA2CA7CA12CA9
SCHEMBL3057889 0.80 CA1 (0.46) SYKCA1CA2CA7ATM
SCHEMBL10795394 0.80 CA1 (0.44) SYKCA1CA2CA7ATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858327-B2 Organic light emitting materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2005-02-22 US disclosed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO disclosed