SCHEMBL6348190

SCHEMBL6348190

COC1SC=CN(CC(=O)N[C@@H](Cc2ccccc2)C(O)C(=O)O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYGL P06737 3/20 0.36
BCHE P06276 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.34
BACE1 P56817 3/20 0.34
CTSD P07339 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
KLK5 Q9Y337 1/20 0.33
FPR2 P25090 1/20 0.33
POLB P06746 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
SCHEMBL6348251 0.88 PYGL (0.37) PYGLBCHEALDH1A1LMNABACE1
SCHEMBL6359323 0.87 SMN1; SMN2 (0.37) PYGLBCHEALDH1A1LMNABACE1
SCHEMBL6352185 0.86 BACE1 (0.37) PYGLBCHEALDH1A1LMNABACE1
SCHEMBL6358303 0.84 HDAC3 (0.35) PYGLALDH1A1LMNABACE1CTSD
SCHEMBL6358360 0.83 ALDH1A1 (0.40) ALDH1A1FPR2POLB
SCHEMBL6358371 0.83 ALDH1A1 (0.40) ALDH1A1FPR2POLB
SCHEMBL6348193 0.73 ABCB1 (0.32) ALDH1A1FPR2POLB
SCHEMBL6349228 0.72 MEN1 (0.39) PYGLALDH1A1LMNAPOLB
SCHEMBL6349375 0.71 LTA4H (0.37) PYGLLMNA
SCHEMBL6356592 0.71 MEN1 (0.35) PYGLLMNA

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
US-6960575-B2 For use as inhibitors of chymase SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-6713472-B1 2-OXO-1,2,3,4-TETRAHYDROPYRAZINE DERIVATIVES; CHYMASE INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-03-30 US disclosed