SCHEMBL6890037

SCHEMBL6890037

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 11/20 0.49
▸ DNPH1 O43598 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ SLC29A1 Q99808 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ DOT1L Q8TEK3 2/20 0.46
▸ DNMT1 P26358 1/20 0.46
▸ DNMT3B Q9UBC3 1/20 0.46
▸ NT5E P21589 1/20 0.45
▸ P2RX3 P56373 1/20 0.45
▸ P2RX2 Q9UBL9 1/20 0.45
▸ TSHR P16473 1/20 0.44

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
SCHEMBL6889275 0.91 ADORA3 (0.52) ADORA3DNPH1TP53SLC29A1TDP1
SCHEMBL6890018 0.78 ADORA3 (0.72) ADORA3DNPH1TP53SLC29A1TDP1
SCHEMBL6890685 0.75 ADORA3 (0.63) ADORA3DNPH1TP53SLC29A1TDP1
SCHEMBL6887666 0.74 ADORA3 (0.56) ADORA3DNPH1TP53SLC29A1TDP1
SCHEMBL23982458 0.70 PRKAB2 (0.68) ADORA3DNPH1TP53SLC29A1TDP1
SCHEMBL20419031 0.70 PRKAB2 (0.68) ADORA3DNPH1TP53SLC29A1TDP1
SCHEMBL2979765 0.68 ADORA3 (0.56) ADORA3DNPH1TP53SLC29A1TDP1
SCHEMBL13239706 0.68 ADORA3 (0.66) ADORA3DNPH1TP53SLC29A1TDP1
SCHEMBL9352971 0.67 ADORA3 (0.81) ADORA3TP53SLC29A1TDP1TSHR
SCHEMBL9352988 0.67 ADORA3 (0.81) ADORA3TP53SLC29A1TDP1TSHR

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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