SCHEMBL15323367

SCHEMBL15323367

CSCC[C@H](N)C(=O)OCC(COC(=O)[C@@H](N)CCCN)OC(=O)CN

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 8/20 0.35
▸ MARS1 P56192 8/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GSR P00390 1/20 0.32
▸ ENPP2 Q13822 1/20 0.30
▸ LPAR1 Q92633 1/20 0.30
▸ LPAR3 Q9UBY5 1/20 0.30

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
SCHEMBL15323181 0.79 MARS1 (0.33) TLR2MARS1
SCHEMBL5586890 0.78 GSR (0.40) MARS1GSR
SCHEMBL15323800 0.75 SLC7A5 (0.33) TLR2ALDH1A1LMNAGSR
SCHEMBL15324153 0.75 MMP2 (0.44) TLR2
Methyl Alcohol SCHEMBL15322375 0.75 PRKCA (0.38) TLR2MARS1
SCHEMBL1345094 0.74 GSR (0.47) MARS1GSR
SCHEMBL2319973 0.74 METAP2 (0.36) MARS1
SCHEMBL23766628 0.74 GSR (0.50) TLR2GSR
Acrylic Acid SCHEMBL3102412 0.73 MARS1 (0.35) MARS1
SCHEMBL6574895 0.73 GSR (0.46) MARS1GSR

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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