SCHEMBL6910642

SCHEMBL6910642

O=C(NO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGD P52209 4/20 0.80
MPI P34949 1/20 0.46
PGK1 P00558 1/20 0.44
PGK2 P07205 1/20 0.44
TPI1 P60174 1/20 0.41
S1PR2 O95136 2/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR5 Q9H228 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
SCHEMBL15653993 0.95 PGD (0.77) PGDMPIPGK1PGK2TPI1
SCHEMBL15694600 0.95 PGD (0.77) PGDMPIPGK1PGK2TPI1
SCHEMBL2219243 0.89 PGD (1.00) PGDMPIPGK1PGK2TPI1
SCHEMBL16798059 0.89 PGD (1.00) PGDMPIPGK1PGK2TPI1
SCHEMBL16798058 0.89 PGD (1.00) PGDMPIPGK1PGK2TPI1
SCHEMBL15694950 0.87 PGD (0.71) PGDMPIPGK1PGK2TPI1
SCHEMBL20475910 0.79 PGD (0.78) PGDMPIPGK1PGK2
SCHEMBL20475925 0.79 PGD (0.78) PGDMPIPGK1PGK2
SCHEMBL4330445 0.79 PGD (0.78) PGDMPIPGK1PGK2
SCHEMBL4330442 0.79 PGD (0.78) PGDMPIPGK1PGK2

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-6743598-B2 SIMULTANEOUSLY ASSESSING MICROBIAL PHOSPHOGLUCOSE ISOMERASE, KETOL-ISOMERASE AND GLUCOSAMINE-6-PHOSPHATE ACETYLTRANSFERASE ACTIVITIES MYCOLOGICS, INC. 2004-06-01 US disclosed
US-20030194758-A1 Methods for the identification of fungal glucose utilization inhibitors and antifungal agents MYCOLOGICS, INC. 2003-10-16 US disclosed