SCHEMBL6405983

SCHEMBL6405983

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 2/20 0.46
CYP2D6 P10635 1/20 0.42
CTSK P43235 9/20 0.40
CTSS P25774 4/20 0.40
CA9 Q16790 2/20 0.39
CA4 P22748 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
PREP P48147 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
CA12 O43570 2/20 0.37
PPARA Q07869 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL7360111 0.86 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL7353657 0.86 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL20557220 0.86 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL29890909 0.85 CA1 (0.51) CA1CA2CA7CYP2D6CTSK
SCHEMBL6605636 0.81 AAK1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL3509185 0.81 CA1 (0.47) CA1CA2CA7CYP2D6CTSK
SCHEMBL27173039 0.81 CA1 (0.47) CA1CA2CA7CYP2D6CTSK
SCHEMBL3509186 0.81 CA1 (0.47) CA1CA2CA7CYP2D6CTSK
SCHEMBL6608157 0.81 SMN1; SMN2 (0.44) CA1CA2CA7CYP2D6CTSK
SCHEMBL6983670 0.81 SMN1; SMN2 (0.44) CA1CA2CA7CYP2D6CTSK

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
US-6967246-B2 Microbial swollenin protein, DNA sequences encoding such swollenins and method of producing such swollenins GENENCOR INTERNATIONAL, INC. (US) 2005-11-22 US disclosed
US-20030104546-A1 Microbial swollenin protein, DNA sequences encoding such swollenins and method of producing such swollenins SWANSON BARBARA A (US) 2003-06-05 US disclosed