SCHEMBL18098580

SCHEMBL18098580

CCC(C)C1OC(CO)[C@@H](O)C(O[C@@H]2OC(C(=O)O)[C@@H](O)C(O)[C@@H]2O)C1NC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ LGALS3 P17931 4/20 0.44
▸ LGALS8 O00214 1/20 0.44
▸ LGALS4 P56470 1/20 0.44
▸ BDNF P23560 3/20 0.41
▸ PTN P21246 2/20 0.41
▸ MDK P21741 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CD69 Q07108 1/20 0.40
▸ MAG P20916 1/20 0.37
▸ CHIA Q9BZP6 1/20 0.36

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
SCHEMBL21650603 1.00 ALDH1A1 (0.47) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL21695250 0.92 MAPK1 (0.50) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL22570748 0.91 ALDH1A1 (0.45) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL19509535 0.91 MAPK1 (0.46) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL26473755 0.90 ALDH1A1 (0.47) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL17742330 0.89 ALDH1A1 (0.53) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL24530053 0.89 MAPK1 (0.47) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL18883210 0.87 ALDH1A1 (0.46) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL19833209 0.87 ALDH1A1 (0.46) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL17359489 0.87 ALDH1A1 (0.42) ALDH1A1THRBMAPK1LGALS3LGALS8

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-2916848-B1 GLUCOSE RESPONSIVE HYDROGEL COMPRISING PBA-GRAFTED HYALURONIC ACID (HA) CENTRE NAT RECH SCIENT (FR) 2016-09-28 — — EP disclosed
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