SCHEMBL15322631

SCHEMBL15322631

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PRKCA P17252 3/20 0.36
▸ TLR2 O60603 3/20 0.33
▸ PRKCE Q02156 1/20 0.32
▸ PRKCQ Q04759 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ SLC1A3 P43003 1/20 0.32
▸ SLC1A2 P43004 1/20 0.32
▸ ENPP2 Q13822 1/20 0.31
▸ LPAR1 Q92633 1/20 0.31
▸ LPAR3 Q9UBY5 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
Methyl Alcohol SCHEMBL15324148 0.88 PRKCA (0.44) SLC7A5PRKCAPRKCEPRKCQPRKCD
Propylene Glycol SCHEMBL15323380 0.85 PRKCA (0.42) SLC7A5PRKCAPRKCEPRKCQPRKCD
SCHEMBL15323800 0.85 SLC7A5 (0.33) SLC7A5ALDH1A1LMNATLR2
SCHEMBL15323883 0.84 SLC7A5 (0.34) SLC7A5ALDH1A1LMNAPRKCA
SCHEMBL15323181 0.83 MARS1 (0.33) SLC7A5TLR2
SCHEMBL720968 0.81 ALDH1A1 (0.46) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Propylene Glycol SCHEMBL15324013 0.80 PRKCA (0.42) PRKCAPRKCEPRKCQPRKCD
Leucine SCHEMBL15322741 0.79 SLC7A5 (0.53) SLC7A5SLC1A3SLC1A2
Succinic Acid SCHEMBL15323069 0.77 PRKCA (0.40) SLC7A5PRKCAPRKCEPRKCQPRKCD
SCHEMBL4762688 0.75 SLC7A5 (0.54) SLC7A5ALDH1A1SLC1A3SLC1A2

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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