SCHEMBL7125701

SCHEMBL7125701

NC(=S)N[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 7/20 0.56
▸ GAA P10253 1/20 0.56
▸ CA1 P00915 8/20 0.53
▸ CA2 P00918 8/20 0.53
▸ CA9 Q16790 8/20 0.53
▸ CA12 O43570 7/20 0.53
▸ CA14 Q9ULX7 4/20 0.49
▸ AKR1B1 P15121 1/20 0.47

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
SCHEMBL27719976 1.00 PYGB (0.56) PYGBGAACA1CA2CA9
SCHEMBL7121127 1.00 PYGB (0.56) PYGBGAACA1CA2CA9
SCHEMBL29936756 1.00 PYGB (0.56) PYGBGAACA1CA2CA9
SCHEMBL31259342 1.00 PYGB (0.56) PYGBGAACA1CA2CA9
SCHEMBL2086769 1.00 PYGB (0.56) PYGBGAACA1CA2CA9
SCHEMBL30802065 1.00 PYGB (0.56) PYGBGAACA1CA2CA9
SCHEMBL1520710 1.00 PYGB (0.56) PYGBGAACA1CA2CA9
SCHEMBL8651363 1.00 PYGB (0.56) PYGBGAACA1CA2CA9
SCHEMBL1520707 1.00 PYGB (0.56) PYGBGAACA1CA2CA9
SCHEMBL11416148 0.85 PYGB (0.59) PYGBGAACA1CA2CA9

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
US-6670332-B1 Cytofectins comprising complex amphiphilic lipids in which a bioactive agent which is recognized by biological systems is joined to a Rosenthal Inhibitor core structure through an alkyl linking group VICAL INCORPORATED 2003-12-30 — — US disclosed
Send feedback