SCHEMBL760215

SCHEMBL760215

C[N+](C)(C)CCOP(=O)(OP(=O)(O)O)OP(=O)([O-])OP(=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(O)C1O)OP(=O)(O)O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
GLA P06280 1/20 0.68
ST6GAL1 P15907 10/20 0.56
P2RY2 P41231 4/20 0.55
P2RY4 P51582 1/20 0.53
P2RY6 Q15077 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL6402546 0.94 TSHR (0.65) TSHRGLAST6GAL1P2RY2P2RY4
SCHEMBL503812 0.91 TSHR (0.68) TSHRGLAST6GAL1P2RY2P2RY4
Ammonia Solution, Strong SCHEMBL28018228 0.90 TSHR (0.67) TSHRGLAST6GAL1P2RY2P2RY4
SCHEMBL27601953 0.90 TSHR (0.72) TSHRGLAST6GAL1P2RY2P2RY4
Citicoline SCHEMBL21906414 0.89 TSHR (0.70) TSHRGLAST6GAL1P2RY2P2RY4
SCHEMBL23199844 0.89 TSHR (0.64) TSHRGLAST6GAL1P2RY2P2RY4
SCHEMBL1794713 0.88 TSHR (0.76) TSHRGLAST6GAL1P2RY2P2RY4
Choline SCHEMBL23199845 0.88 TSHR (0.69) TSHRGLAST6GAL1P2RY2P2RY4
Citicoline SCHEMBL50799 0.88 TSHR (0.73) TSHRGLAST6GAL1P2RY2P2RY4
Citicoline SCHEMBL25411862 0.88 TSHR (0.76) TSHRGLAST6GAL1P2RY2P2RY4

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-8703473-B2 Recombinant microbial host cells for high eicosapentaenoic acid production E I DU PONT DE NEMOURS AND COMPANY (US) 2014-04-22 US disclosed
US-20120052537-A1 RECOMBINANT MICROBIAL HOST CELLS FOR HIGH EICOSAPENTAENOIC ACID PRODUCTION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-01 US disclosed