SCHEMBL11274431

SCHEMBL11274431

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.53
▸ LMNA P02545 3/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ MMP12 P39900 3/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MAG P20916 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ CTSB P07858 1/20 0.36
▸ LGALS8 O00214 1/20 0.35
▸ TSHR P16473 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
SCHEMBL9473749 0.87 POLB (0.65) POLBLMNAKMT2AMMP12MMP9
SCHEMBL11265381 0.86 POLB (0.54) POLBLMNAKMT2AMMP12MMP9
SCHEMBL9472221 0.84 POLB (0.66) POLBLMNAKMT2AMMP12MMP9
SCHEMBL8331347 0.83 POLB (0.49) POLBLMNAKMT2AL3MBTL1
SCHEMBL11268177 0.82 MAPK1 (0.53) POLBLMNAKMT2AL3MBTL1ALDH1A1
SCHEMBL11282707 0.82 MAPK1 (0.51) POLBLMNAKMT2AMMP12MMP9
SCHEMBL9472933 0.81 POLB (0.51) POLBLMNAKMT2AMMP12MMP9
SCHEMBL8331345 0.80 POLB (0.46) POLBLMNAKMT2AL3MBTL1MAPK1
SCHEMBL9472639 0.80 POLB (0.53) POLBLMNAKMT2AMMP12MMP9
SCHEMBL8332380 0.79 POLB (0.49) POLBLMNAKMT2AL3MBTL1

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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