Sugi Predict

Sugi Predict / Compounds / SCHEMBL16638207

SCHEMBL16638207

SCHEMBL16638207

CCCCCC/C=C\CCCCCCCCCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)CC(=O)CC)[C@@H](OCCCCCCCCCC)[C@@H]2O)O[C@H](CCO)[C@@H](O)[C@@H]1OCC[C@@H](CCCCCCC)OC

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 20/20 0.80
▸ LY96 Q9Y6Y9 1/20 0.43

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
SCHEMBL12356755 0.97 TLR4 (0.85) TLR4LY96
SCHEMBL15292208 0.97 TLR4 (0.85) TLR4LY96
SCHEMBL12635822 0.94 TLR4 (0.76) TLR4LY96
SCHEMBL12635798 0.92 TLR4 (0.73) TLR4LY96
SCHEMBL12635883 0.92 TLR4 (0.73) TLR4LY96
SCHEMBL12635882 0.92 TLR4 (0.73) TLR4LY96
SCHEMBL12635812 0.90 TLR4 (0.70) TLR4LY96
SCHEMBL12635802 0.90 TLR4 (0.73) TLR4LY96
SCHEMBL12635799 0.89 TLR4 (0.76) TLR4LY96
SCHEMBL12635801 0.89 TLR4 (0.68) TLR4LY96

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
US-9006210-B2 Compositions and methods for treating corneal inflammation CASE WESTERN RESERVE UNIVERSITY (US) 2015-04-14 — — US disclosed