SCHEMBL6891220

SCHEMBL6891220

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)CN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.38
▸ OPRD1 P41143 2/20 0.38
▸ KEAP1 Q14145 2/20 0.37
▸ MME P08473 3/20 0.36
▸ ITGB3 P05106 2/20 0.36
▸ ITGB1 P05556 2/20 0.36
▸ ITGAV P06756 2/20 0.36
▸ ITGA5 P08648 2/20 0.36
▸ MDM2 Q00987 2/20 0.36
▸ MDM4 O15151 1/20 0.36
▸ NMT2 O60551 1/20 0.35
▸ NMT1 P30419 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
SCHEMBL6891224 1.00 OPRM1 (0.38) OPRM1OPRD1KEAP1MMEITGB3
SCHEMBL29478036 0.90 NMT1 (0.43) OPRM1OPRD1NMT2NMT1
SCHEMBL6891205 0.88 OPRD1 (0.37) OPRM1OPRD1NMT2NMT1
SCHEMBL6891219 0.88 OPRD1 (0.37) OPRM1OPRD1NMT2NMT1
SCHEMBL9637025 0.87 GNPAT (0.40) MME
SCHEMBL30526185 0.86 CA2 (0.40) OPRM1OPRD1KEAP1MMEITGB3
SCHEMBL30728875 0.86 NPSR1 (0.40) MMENMT2NMT1
SCHEMBL29630676 0.85 CA2 (0.43) MMEITGB3ITGB1ITGAVITGA5
SCHEMBL31210163 0.84 CTSB (0.40) MME
SCHEMBL30422914 0.84 ITGB3 (0.39) OPRD1KEAP1ITGB3ITGB1ITGAV

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 4 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
US-6171614-B1 REDUCTIVE AMINATION; LIPOSOMES EMORY UNIVERSITY 2001-01-09 — — US 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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