SCHEMBL15324153

SCHEMBL15324153

NCCC[C@H](N)C(=O)OCC(COC(=O)[C@@H](N)Cc1ccccc1)OC(=O)CN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 3/20 0.44
▸ ALPI P09923 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ XIAP P98170 1/20 0.42
▸ SLC7A5 Q01650 1/20 0.42
▸ ANPEP P15144 2/20 0.40
▸ LTA4H P09960 2/20 0.39
▸ SLC15A1 P46059 2/20 0.39
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ MC4R P32245 1/20 0.38
▸ MC5R P33032 1/20 0.38
▸ MC3R P41968 1/20 0.38
▸ DAGLA Q9Y4D2 1/20 0.38
▸ RNPEP Q9H4A4 1/20 0.38
▸ DNPEP Q9ULA0 1/20 0.38
▸ TLR2 O60603 1/20 0.38
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37

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
SCHEMBL24587257 0.84 ALPI (0.47) MMP2ALPIPKMPTGS1XIAP
SCHEMBL1537320 0.81 ALPI (0.53) MMP2ALPIPKMPTGS1XIAP
SCHEMBL22689095 0.80 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL24586257 0.80 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1537425 0.77 MMP2 (0.58) MMP2ALPIPKMPTGS1XIAP
SCHEMBL237821 0.77 MMP2 (0.58) MMP2ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL15323613 0.76 SLC7A5 (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL15323367 0.75 TLR2 (0.35) TLR2
SCHEMBL4622400 0.75 LTA4H (0.52) MMP2ANPEPLTA4HSLC15A1SLC1A3
SCHEMBL20335061 0.75 LTA4H (0.52) MMP2ANPEPLTA4HSLC15A1SLC1A3

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-2836832-A1 EARLY TRIMESTER SCREENING FOR EARLY- AND LATE-ONSET PREECLAMPSIA Wayne State University (US) 2015-02-18 — — EP disclosed
WO-2013155458-A1 EARLY TRIMESTER SCREENING FOR EARLY- AND LATE-ONSET PREECLAMPSIA WAYNE STATE UNIVERSITY (US) 2013-10-17 — — WO disclosed
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