SCHEMBL4628838

SCHEMBL4628838

CC(NC(=O)C(O)C(C)(C)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.43
▸ ACE P12821 2/20 0.43
▸ CPA1 P15085 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43
▸ LTA4H P09960 3/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ANPEP P15144 1/20 0.33
▸ ECE1 P42892 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ SDCBP O00560 1/20 0.33
▸ SDC2 P34741 1/20 0.33

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
SCHEMBL23866562 0.80 CA12 (0.34) —
SCHEMBL23866540 0.80 CA12 (0.34) —
SCHEMBL23866563 0.80 CA12 (0.34) —
SCHEMBL5719421 0.79 PTGS1 (0.50) MMEACECPA1ACE2LTA4H
SCHEMBL5015722 0.79 PTGS1 (0.50) MMEACECPA1ACE2LTA4H
SCHEMBL3487839 0.79 PTGS1 (0.50) MMEACECPA1ACE2LTA4H
SCHEMBL3487840 0.79 PTGS1 (0.50) MMEACECPA1ACE2LTA4H
SCHEMBL5015724 0.79 PTGS1 (0.50) MMEACECPA1ACE2LTA4H
SCHEMBL4572623 0.75 MME (0.50) MMEACECPA1ACE2LTA4H
SCHEMBL6374397 0.75 MME (0.50) MMEACECPA1ACE2LTA4H

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
WO-2008052630-A1 SEMI-CONTINUOUS FERMENTATION PROCESS FOR PANTOTHENATE PRODUCTION DSM IP ASSETS B.V. (NL) 2008-05-08 — — WO disclosed
EP-1918383-A1 Semi-continuous fermentation process for pantothenate production DSMIP Assets B.V. (NL) 2008-05-07 — — EP disclosed
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