SCHEMBL1743972

SCHEMBL1743972

C=CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ CA2 P00918 4/20 0.40
▸ CA9 Q16790 4/20 0.40
▸ CA1 P00915 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LGALS8 O00214 1/20 0.36
▸ LGALS3 P17931 1/20 0.36
▸ LGALS4 P56470 1/20 0.36
▸ CD69 Q07108 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HK2 P52789 1/20 0.35
▸ CHIA Q9BZP6 1/20 0.35

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
SCHEMBL1743973 1.00 MAPK1 (0.45) MAPK1ALDH1A1THRBCA2CA9
SCHEMBL12371569 0.88 MAPK1 (0.45) MAPK1ALDH1A1THRBCA2CA9
SCHEMBL8578436 0.88 MAPK1 (0.45) MAPK1ALDH1A1THRBCA2CA9
SCHEMBL23705095 0.88 MAPK1 (0.45) MAPK1ALDH1A1THRBCA2CA9
SCHEMBL8578442 0.88 MAPK1 (0.45) MAPK1ALDH1A1THRBCA2CA9
SCHEMBL10871708 0.84 PYGB (0.50) MAPK1ALDH1A1THRBCA2CA9
SCHEMBL21195739 0.84 MAPK1 (0.32) MAPK1L3MBTL1
SCHEMBL2315792 0.84 MAPK1 (0.42) MAPK1ALDH1A1THRBCA2CA9
SCHEMBL2315800 0.84 MAPK1 (0.42) MAPK1ALDH1A1THRBCA2CA9
SCHEMBL14819154 0.84 MAPK1 (0.62) MAPK1ALDH1A1THRBMEN1KMT2A

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
EP-2386563-A1 Novel O-acetylated decasaccharides Institut Pasteur (FR) 2011-11-16 — — EP disclosed
Send feedback