SCHEMBL6348251

SCHEMBL6348251

CC1SC=CN(CC(=O)N[C@@H](Cc2ccccc2)C(O)C(=O)O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PYGL P06737 4/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
POLB P06746 2/20 0.34
BACE1 P56817 4/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A11 P48066 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
BCHE P06276 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
SCHEMBL6359323 0.89 SMN1; SMN2 (0.37) PYGLALDH1A1LMNAITGB3ITGA2B
SCHEMBL6352185 0.88 BACE1 (0.37) PYGLALDH1A1LMNAPOLBBACE1
SCHEMBL6348190 0.88 PYGL (0.36) PYGLALDH1A1LMNAITGB3ITGA2B
SCHEMBL6358303 0.86 HDAC3 (0.35) PYGLALDH1A1LMNAITGB3ITGA2B
SCHEMBL6347737 0.82 ALDH1A1 (0.41) ALDH1A1LMNAPOLBKMT2AL3MBTL1
SCHEMBL6347742 0.82 ALDH1A1 (0.41) ALDH1A1LMNAPOLBKMT2AL3MBTL1
SCHEMBL6349228 0.73 MEN1 (0.39) PYGLALDH1A1LMNAPOLBKMT2A
SCHEMBL6349375 0.72 LTA4H (0.37) PYGLLMNANPC1RAB9A
SCHEMBL6356592 0.72 MEN1 (0.35) PYGLLMNAKMT2A
SCHEMBL6348255 0.72 PKM (0.33) ALDH1A1POLBKMT2AL3MBTL1

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