SCHEMBL11282707

SCHEMBL11282707

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAG P20916 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ SSTR5 P35346 3/20 0.40
▸ SSTR3 P32745 2/20 0.40
▸ SSTR1 P30872 1/20 0.40
▸ SSTR2 P30874 1/20 0.40
▸ SSTR4 P31391 1/20 0.40
▸ TACR1 P25103 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ HRAS P01112 1/20 0.38
▸ LGALS8 O00214 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
SCHEMBL7155850 0.90 MAPK1 (0.64) MAPK1L3MBTL1MAGPOLBALDH1A1
SCHEMBL7155841 0.90 MAPK1 (0.64) MAPK1L3MBTL1MAGPOLBALDH1A1
SCHEMBL8332378 0.83 POLB (0.46) MAPK1L3MBTL1MAGPOLBLMNA
SCHEMBL11268177 0.83 MAPK1 (0.53) MAPK1L3MBTL1MAGPOLBLMNA
SCHEMBL11274431 0.82 POLB (0.53) MAPK1L3MBTL1MAGPOLBLMNA
SCHEMBL8331345 0.81 POLB (0.46) MAPK1L3MBTL1MAGPOLBLMNA
SCHEMBL7154430 0.81 L3MBTL1 (0.47) L3MBTL1MAGPOLBLMNAKMT2A
SCHEMBL7155061 0.81 L3MBTL1 (0.47) L3MBTL1MAGPOLBLMNAKMT2A
SCHEMBL9472221 0.80 POLB (0.66) MAPK1L3MBTL1POLBLMNAKMT2A
SCHEMBL15514180 0.79 MAPK1 (0.49) MAPK1L3MBTL1MAGPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0015468-B1 6-DEOXYGLUCOSAMINE-PEPTIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-29 — — EP disclosed
US-4314998-A 6-Deoxyglucosamine-peptide derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-02-09 — — US disclosed
EP-0015468-A1 6-Deoxyglucosamine-peptide derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1980-09-17 — — EP disclosed
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