SCHEMBL19509535

SCHEMBL19509535

CC(=O)N[C@H]1C(O[C@@H]2OC(C(=O)O)[C@@H](O)C(O)[C@@H]2O)[C@H](O)C(CO)OC1[C@H](C)CI

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.46
▸ LGALS3 P17931 5/20 0.43
▸ LGALS8 O00214 1/20 0.43
▸ LGALS4 P56470 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ BDNF P23560 3/20 0.41
▸ PTN P21246 2/20 0.41
▸ MDK P21741 2/20 0.41
▸ CD69 Q07108 1/20 0.39
▸ MAG P20916 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CHIA Q9BZP6 1/20 0.36
▸ LGALS1 P09382 1/20 0.35
▸ LGALS7; LGALS7B P47929 1/20 0.35
▸ NOD2 Q9HC29 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
SCHEMBL18098580 0.91 ALDH1A1 (0.47) MAPK1LGALS3LGALS8LGALS4ALDH1A1
SCHEMBL21650603 0.91 ALDH1A1 (0.47) MAPK1LGALS3LGALS8LGALS4ALDH1A1
SCHEMBL21695250 0.91 MAPK1 (0.50) MAPK1LGALS3LGALS8LGALS4ALDH1A1
SCHEMBL24530053 0.88 MAPK1 (0.47) MAPK1LGALS3LGALS8LGALS4ALDH1A1
SCHEMBL29472159 0.83 MAPK1 (0.59) MAPK1LGALS3LGALS8LGALS4ALDH1A1
SCHEMBL8062325 0.83 MAPK1 (0.59) MAPK1LGALS3LGALS8LGALS4ALDH1A1
SCHEMBL30055691 0.83 MAPK1 (0.59) MAPK1LGALS3LGALS8LGALS4ALDH1A1
SCHEMBL12878533 0.83 MAPK1 (0.59) MAPK1LGALS3LGALS8LGALS4ALDH1A1
SCHEMBL29533003 0.83 MAPK1 (0.59) MAPK1LGALS3LGALS8LGALS4ALDH1A1
SCHEMBL19864355 0.83 MAPK1 (0.59) MAPK1LGALS3LGALS8LGALS4ALDH1A1

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
WO-2017181274-A1 BOTTLEBRUSH POLYMER COMPOSITIONS, LUBRICATING FLUID, POROUS MATERIALS COMPRISING SAID COMPOSITIONS, AND SURFACE BEARING SAID COMPOSITIONS VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2017-10-26 — — WO disclosed
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