SCHEMBL11170170

SCHEMBL11170170

CC(=O)N[C@@H]1[C@@H](OC(C)C(=O)O)[C@H](OCc2ccccc2)[C@@H](CO)O[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.65
▸ HRAS P01112 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ TACR2 P21452 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ HK1 P19367 1/20 0.39
▸ HK2 P52789 1/20 0.39
▸ MAG P20916 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LGALS3 P17931 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9472134 0.92 MAPK1 (0.54) MAPK1HRASNOD2ALDH1A1THRB
SCHEMBL7774709 0.90 MAPK1 (0.50) MAPK1HRASTACR2HK1HK2
SCHEMBL11590064 0.88 MAPK1 (0.50) MAPK1HRASNOD2ALDH1A1THRB
SCHEMBL11170361 0.86 MAPK1 (0.50) MAPK1HRASNOD2POLBL3MBTL1
SCHEMBL13491610 0.85 MAPK1 (0.48) MAPK1HRASTACR2HK1HK2
SCHEMBL8822997 0.84 MAPK1 (0.58) MAPK1HRASHK1HK2MAG
SCHEMBL31134199 0.84 MAPK1 (0.58) MAPK1HRASHK1HK2MAG
SCHEMBL7155850 0.83 MAPK1 (0.64) MAPK1HRASALDH1A1THRBMAG
SCHEMBL7155841 0.83 MAPK1 (0.64) MAPK1HRASALDH1A1THRBMAG
SCHEMBL9472732 0.83 MAPK1 (0.46) MAPK1ALDH1A1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4369178-A Glucosamine peptide derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-01-18 — — US disclosed
EP-0014984-B1 GLUCOSAMINE-PEPTIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-01 — — EP disclosed
Send feedback