SCHEMBL6890685

SCHEMBL6890685

O=C(O)[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 9/20 0.63
▸ TSHR P16473 2/20 0.61
▸ TP53 P04637 1/20 0.58
▸ SLC29A1 Q99808 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ DNPH1 O43598 1/20 0.56
▸ ADORA2A P29274 2/20 0.53
▸ ADORA2B P29275 2/20 0.53
▸ NT5E P21589 1/20 0.53
▸ CYP3A4 P08684 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ PMP22 Q01453 1/20 0.52

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
SCHEMBL6890018 0.86 ADORA3 (0.72) ADORA3TSHRTP53SLC29A1TDP1
SCHEMBL6887666 0.86 ADORA3 (0.56) ADORA3TSHRTP53SLC29A1TDP1
SCHEMBL9388463 0.83 ADORA3 (0.81) ADORA3TSHRTP53SLC29A1TDP1
SCHEMBL3253858 0.83 ADORA3 (0.81) ADORA3TSHRTP53SLC29A1TDP1
SCHEMBL21097446 0.79 ADORA3 (0.71) ADORA3TSHRTP53SLC29A1TDP1
SCHEMBL29762727 0.77 ADORA3 (0.83) ADORA3TSHRTP53SLC29A1TDP1
SCHEMBL29762124 0.77 ADORA3 (0.83) ADORA3TSHRTP53SLC29A1TDP1
SCHEMBL7971570 0.76 ADORA3 (0.67) ADORA3TSHRTP53SLC29A1TDP1
SCHEMBL27191647 0.76 TSHR (0.77) ADORA3TSHRADORA2AADORA2BCYP3A4
SCHEMBL23982458 0.76 PRKAB2 (0.68) ADORA3TSHRTP53SLC29A1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0956000-A4 SYNTHESIS OF GLYCOPHOSPHOLIPID AND PEPTIDE-PHOSPHOLIPID CONJUGATES AND USES THEREOF UNIV EMORY (US) 2004-06-09 — — EP disclosed
EP-0956000-A1 SYNTHESIS OF GLYCOPHOSPHOLIPID AND PEPTIDE-PHOSPHOLIPID CONJUGATES AND USES THEREOF EMORY UNIVERSITY (US) 1999-11-17 — — EP disclosed
WO-1998016198-A1 SYNTHESIS OF GLYCOPHOSPHOLIPID AND PEPTIDE-PHOSPHOLIPID CONJUGATES AND USES THEREOF EMORY UNIVERSITY (US) 1998-04-23 — — WO disclosed
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