SCHEMBL2791012

SCHEMBL2791012

CCCCCC/C=C\CCCCCCCCCC(=O)NC1C(O[C@H]2C(CO)O[C@H](OC3C(CO)OC(O[C@H]4C(CO)O[C@H](OC)C(NC(C)=O)C4O)C(NC(C)=O)[C@H]3O)C(NC(C)=O)C2O)OC(CO)C(O)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.54
▸ TLR4 O00206 8/20 0.53
▸ LGALS3 P17931 5/20 0.49
▸ LGALS8 O00214 1/20 0.49
▸ LGALS4 P56470 1/20 0.49
▸ CHIA Q9BZP6 1/20 0.47
▸ LGALS1 P09382 1/20 0.46
▸ LGALS7; LGALS7B P47929 1/20 0.46
▸ CD69 Q07108 1/20 0.45
▸ LGALS9 O00182 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ LY96 Q9Y6Y9 3/20 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
SCHEMBL10064893 1.00 MAPK1 (0.54) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL2741377 0.96 MAPK1 (0.50) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL2741376 0.96 MAPK1 (0.50) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL19225396 0.94 MAPK1 (0.55) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL16433864 0.93 MAPK1 (0.54) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL16623686 0.93 MAPK1 (0.54) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL16502193 0.93 MAPK1 (0.54) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL18024461 0.93 MAPK1 (0.54) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL22006236 0.93 MAPK1 (0.54) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL20685510 0.93 MAPK1 (0.54) MAPK1TLR4LGALS3LGALS8LGALS4

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-20120004401-A1 COMPOSITIONS COMPRISING LIPOCHITOOLIGOSACCHARIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-05 — — US disclosed
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