SCHEMBL29827581

SCHEMBL29827581

CCCCCCCCCCCCCC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](CO[C@H]1O[C@H](COC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)N=[N+]=[N-]

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 3/20 0.47
▸ SELP P16109 5/20 0.37
▸ TLR2 O60603 6/20 0.37
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ PTPN1 P18031 3/20 0.33
▸ CDC25B P30305 3/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ CDC25A P30304 1/20 0.33
▸ CASP3 P42574 1/20 0.33

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
SCHEMBL29827596 0.85 SELP (0.39) SELPPTPN1CDC25BPTPN2
SCHEMBL30829360 0.81 SELP (0.41) TNFSELPPTPN1CDC25B
SCHEMBL29827837 0.80 SSTR1 (0.42) SELPPTPN1CDC25BPTPN2
SCHEMBL27054999 0.80 SELP (0.37) TNFSELPPTPN1CDC25B
SCHEMBL29827728 0.79 SELP (0.41) SELPPTPN1CDC25B
SCHEMBL31745725 0.79 SELP (0.42) SELPPTPN1CDC25BPTPN2
SCHEMBL31745662 0.77 SELP (0.42) TNFSELPPTPN1CDC25BPTPN2
SCHEMBL13925621 0.76 SSTR1 (0.40) SELPPTPN1CDC25BPTPN2
SCHEMBL27055012 0.76 SELP (0.42) SELP
SCHEMBL29827765 0.75 SLC10A2 (0.47) —

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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