SCHEMBL29827596

SCHEMBL29827596

CCCCCCCCCCCCCC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](CO[C@H]1O[C@H](COC(=O)[C@@H](N)C(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)N=[N+]=[N-]

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 6/20 0.39
▸ CYP2D6 P10635 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PTPN1 P18031 6/20 0.37
▸ CDC25B P30305 6/20 0.37
▸ SSTR1 P30872 1/20 0.36
▸ SSTR2 P30874 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ SSTR3 P32745 1/20 0.36
▸ SSTR5 P35346 1/20 0.36
▸ PTPN2 P17706 2/20 0.34
▸ PTPN6 P29350 2/20 0.34
▸ PTPN11 Q06124 2/20 0.34
▸ BCHE P06276 1/20 0.34

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
SCHEMBL27054999 0.95 SELP (0.37) SELPCYP2D6ALDH1A1MAPK1PTPN1
SCHEMBL30829360 0.88 SELP (0.41) SELPCYP2D6ALDH1A1MAPK1PTPN1
SCHEMBL29827837 0.87 SSTR1 (0.42) SELPPTPN1CDC25BSSTR1SSTR2
SCHEMBL29827728 0.86 SELP (0.41) SELPPTPN1CDC25BSSTR1SSTR2
SCHEMBL31745725 0.86 SELP (0.42) SELPCYP2D6ALDH1A1MAPK1PTPN1
SCHEMBL29827581 0.85 TNF (0.47) SELPPTPN1CDC25BPTPN2
SCHEMBL31745662 0.83 SELP (0.42) SELPPTPN1CDC25BSSTR1SSTR2
SCHEMBL13925621 0.82 SSTR1 (0.40) SELPPTPN1CDC25BSSTR1SSTR2
SCHEMBL27055012 0.82 SELP (0.42) SELPSSTR1SSTR2SSTR4SSTR3
SCHEMBL27054862 0.82 SELP (0.37) SELPSSTR1SSTR2SSTR4SSTR3

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-4301374-A1 COMPOUNDS FOR ACTIVATING INVARIANT NATURAL KILLER T-CELLS AND METHODS OF USE IN ELIMINATING INFLAMMATORY SENESCENT CELLS Deciduous Therapeutics, Inc. (US) 2024-01-10 — — EP disclosed
WO-2022187141-A1 COMPOUNDS FOR ACTIVATING INVARIANT NATURAL KILLER T-CELLS AND METHODS OF USE IN ELIMINATING INFLAMMATORY SENESCENT CELLS DECIDUOUS THERAPEUTICS (US) 2022-09-09 — — WO disclosed
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