SCHEMBL6352185

SCHEMBL6352185

CC(C)C1SC=CN(CC(=O)N[C@@H](Cc2ccccc2)C(O)C(=O)O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.37
BCHE P06276 1/20 0.37
LMNA P02545 1/20 0.36
PYGL P06737 1/20 0.36
POLB P06746 1/20 0.35
SLC6A11 P48066 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MME P08473 1/20 0.34
LTA4H P09960 1/20 0.34
ANPEP P15144 1/20 0.34
ECE1 P42892 1/20 0.34

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) BACE1BCHELMNAPYGLPOLB
SCHEMBL6359323 0.87 SMN1; SMN2 (0.37) BACE1BCHELMNAPYGLPOLB
SCHEMBL6348190 0.86 PYGL (0.36) BACE1BCHELMNAPYGLPOLB
SCHEMBL6358303 0.84 HDAC3 (0.35) BACE1LMNAPYGLPOLBALDH1A1
SCHEMBL6349228 0.84 MEN1 (0.39) LMNAPYGLPOLBALDH1A1MME
SCHEMBL6346933 0.83 ALDH1A1 (0.40) LMNAPOLBALDH1A1NPC1RAB9A
SCHEMBL6349375 0.83 LTA4H (0.37) LMNAPYGLNPC1RAB9AMME
SCHEMBL6356592 0.82 MEN1 (0.35) LMNAPYGLMMELTA4H
SCHEMBL6348393 0.80 POLB (0.38) BACE1BCHELMNAPYGLPOLB
SCHEMBL6354395 0.80 POLB (0.38) BACE1BCHELMNAPYGLPOLB

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