SCHEMBL27800899

SCHEMBL27800899

CCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.67
▸ NOD1 Q9Y239 7/20 0.58
▸ TLR2 O60603 1/20 0.54
▸ EPHX2 P34913 2/20 0.54
▸ NMT2 O60551 2/20 0.54
▸ NMT1 P30419 2/20 0.54
▸ ITGB3 P05106 1/20 0.50
▸ ITGA2B P08514 1/20 0.50
▸ SIRT6 Q8N6T7 1/20 0.49
▸ SIRT1 Q96EB6 1/20 0.49
▸ CTSL P07711 1/20 0.48
▸ GLP1R P43220 3/20 0.48

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
SCHEMBL29111716 0.92 SLC6A5 (0.77) SLC6A5NOD1TLR2NMT2NMT1
SCHEMBL8929340 0.92 SLC6A5 (0.77) SLC6A5NOD1TLR2NMT2NMT1
SCHEMBL2868427 0.90 SLC6A5 (0.70) SLC6A5NOD1TLR2NMT2NMT1
SCHEMBL28785969 0.90 SLC6A5 (0.70) SLC6A5NOD1TLR2NMT2NMT1
SCHEMBL9716743 0.87 SLC6A5 (0.85) SLC6A5NOD1EPHX2ITGB3ITGA2B
SCHEMBL6379518 0.87 SLC6A5 (0.85) SLC6A5NOD1EPHX2ITGB3ITGA2B
SCHEMBL9716739 0.87 SLC6A5 (0.85) SLC6A5NOD1EPHX2ITGB3ITGA2B
SCHEMBL337703 0.87 SLC6A5 (0.85) SLC6A5NOD1EPHX2ITGB3ITGA2B
SCHEMBL343693 0.87 SLC6A5 (0.85) SLC6A5NOD1EPHX2ITGB3ITGA2B
SCHEMBL9635202 0.87 SLC6A5 (0.85) SLC6A5NOD1EPHX2ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101702882-A Stimulation of immune responses with cationic lipids PDS BIOTECHNOLOGY CORP 2010-05-05 — — CN disclosed
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