SCHEMBL6606476

SCHEMBL6606476

CO[C@H]1O[C@H](COC(=O)C(N)Cc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPI P09923 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ XIAP P98170 1/20 0.44
▸ SLC7A5 Q01650 1/20 0.44
▸ LGALS8 O00214 1/20 0.43
▸ NNMT P40261 1/20 0.43
▸ MMP9 P14780 1/20 0.42
▸ MMP12 P39900 1/20 0.42
▸ LGALS3 P17931 1/20 0.42
▸ MARS1 P56192 2/20 0.41
▸ SLC5A1 P13866 2/20 0.41
▸ SLC5A2 P31639 2/20 0.41
▸ SYNJ2 O15056 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ ALPL P05186 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL6588628 1.00 ALPI (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL15150246 0.81 ALPI (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27473604 0.79 CDK1 (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6129350 0.77 PRKD3 (0.48) MMP9MMP12CA1CA2CA9
SCHEMBL21137855 0.77 LMNA (0.45) MARS1SLC15A1
SCHEMBL1674815 0.76 LGALS8 (0.56) ALPILGALS8LGALS3SYNJ2KDM4E
SCHEMBL14941310 0.76 SYNJ2 (0.51) LGALS8SYNJ2
SCHEMBL14941296 0.76 SYNJ2 (0.51) LGALS8SYNJ2
SCHEMBL14940984 0.76 SYNJ2 (0.51) LGALS8SYNJ2
SCHEMBL14941297 0.76 SYNJ2 (0.51) LGALS8SYNJ2

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
EP-1414988-A1 METHOD FOR PREPARING ESTER LINKED PEPTIDE-CARBOHYDRATE CONJUGATES ISIS INNOVATION LIMITED (GB) 2004-05-06 — — EP disclosed
WO-2003014371-A1 METHOD FOR PREPARING ESTER LINKED PEPTIDE-CARBOHYDRATE CONJUGATES ISIS INNOVATION LIMITED (GB) 2003-02-20 — — WO disclosed
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