SCHEMBL15323800

SCHEMBL15323800

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.33
▸ TLR2 O60603 6/20 0.32
▸ ANPEP P15144 2/20 0.32
▸ RNPEP Q9H4A4 2/20 0.32
▸ DNPEP Q9ULA0 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GSR P00390 1/20 0.31

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 0.85 MARS1 (0.33) SLC7A5TLR2
SCHEMBL15322631 0.85 SLC7A5 (0.39) SLC7A5TLR2ALDH1A1LMNA
SCHEMBL15323883 0.82 SLC7A5 (0.34) SLC7A5ALDH1A1LMNA
SCHEMBL23766628 0.79 GSR (0.50) TLR2RNPEPGSR
Propylene Glycol SCHEMBL15324013 0.77 PRKCA (0.42) —
SCHEMBL19547628 0.75 GSR (0.44) SLC7A5TLR2ALDH1A1GSR
SCHEMBL15323367 0.75 TLR2 (0.35) TLR2ALDH1A1LMNAGSR
Succinic Acid SCHEMBL15323069 0.75 PRKCA (0.40) SLC7A5
Methyl Alcohol SCHEMBL15324148 0.74 PRKCA (0.44) SLC7A5
Lysine SCHEMBL8885814 0.74 GSR (0.48) SLC7A5RNPEPGSR

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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