SCHEMBL25581

SCHEMBL25581

CCOC(C)(OCC)C(=O)OC(OC(=O)C(N)C1(CC(=O)OCc2ccccc2)CCCCC1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.36
CTSS P25774 3/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
LMNA P02545 1/20 0.33
FKBP1A P62942 2/20 0.33
CA12 O43570 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPID Q08752 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
Acetic Acid SCHEMBL25582 0.86 LMNA (0.36) CTSLCTSBLMNAALDH1A1PPID
SCHEMBL560784 0.84 CTSS (0.36) SLC15A1CTSSCTSLCTSBLMNA
SCHEMBL5145725 0.84
SCHEMBL5148801 0.80 SLC15A1 (0.42) SLC15A1CTSSCTSLCTSBALDH1A1
SCHEMBL27612210 0.77 LTA4H (0.43) SLC15A1CTSSCTSLCTSBALDH1A1
Acetic Acid SCHEMBL560785 0.75 LMNA (0.40) CTSSCTSLCTSBLMNAALDH1A1
SCHEMBL10408165 0.74 ALDH1A1 (0.45) SLC15A1CTSSCTSLCTSBLMNA
SCHEMBL27622479 0.73 CYP2D6 (0.40) LMNAALDH1A1
SCHEMBL6368352 0.73 ALDH1A1 (0.42) SLC15A1CTSSCTSLCTSBLMNA
SCHEMBL6368367 0.73 ALDH1A1 (0.49) SLC15A1CTSSCTSLCTSBCA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902714-B1 Prodrugs of gaba analogs, compositions and uses thereof XENOPORT INC (US) 2012-01-11 EP disclosed
EP-2085087-A1 Prodrugs of gaba analogs, compositions and uses thereof Xenoport, Inc. (US) 2009-08-05 EP disclosed
EP-1902714-A1 Prodrugs of gaba analogs, compositions and uses thereof Xenoport, Inc. (US) 2008-03-26 EP disclosed