SCHEMBL29516040

SCHEMBL29516040

CCOC(=O)c1ccccc1COP1(=O)OC[C@H]2O[C@@H](n3ccc(NO)nc3=O)[C@H](O)[C@@H]2O1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.42
▸ STING1 Q86WV6 2/20 0.37
▸ PRKACA P17612 2/20 0.36
▸ PRKACG P22612 2/20 0.36
▸ PRKACB P22694 2/20 0.36
▸ P2RY6 Q15077 7/20 0.34
▸ P2RY2 P41231 4/20 0.34
▸ P2RY4 P51582 4/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ P2RY14 Q15391 2/20 0.33
▸ RAPGEF3 O95398 1/20 0.33
▸ NT5E P21589 1/20 0.33

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
SCHEMBL29516001 0.91 STING1 (0.36) RXFP1STING1PRKACAPRKACGPRKACB
SCHEMBL29515889 0.91 RXFP1 (0.46) RXFP1STING1PRKACAPRKACGPRKACB
SCHEMBL22589417 0.83 RXFP1 (0.42) RXFP1STING1PRKACAPRKACGPRKACB
SCHEMBL29516128 0.81 STING1 (0.39) RXFP1STING1PRKACAPRKACGPRKACB
SCHEMBL18720671 0.75 RXFP1 (0.45) RXFP1STING1PRKACAPRKACGPRKACB
SCHEMBL30087472 0.73 STING1 (0.43) STING1
SCHEMBL29516378 0.71 STING1 (0.35) RXFP1STING1PRKACAPRKACGPRKACB
SCHEMBL18720673 0.70 RXFP1 (0.39) RXFP1STING1PRKACAPRKACGPRKACB
SCHEMBL29516258 0.69 RXFP1 (0.44) RXFP1STING1PRKACAPRKACGPRKACB
SCHEMBL30087410 0.69 STING1 (0.41) STING1

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
EP-4232456-A1 ANTIVIRAL PRODRUG COMPOUNDS Ligand Pharmaceuticals, Inc. (US) 2023-08-30 — — EP disclosed
WO-2022086958-A1 ANTIVIRAL PRODRUG COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2022-04-28 — — WO disclosed
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