SCHEMBL7761772

SCHEMBL7761772

C[Si](C)(C)CCOC(=O)[C@H](CCCCN)NOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.44
PRSS2 P07478 7/20 0.44
PRSS3 P35030 7/20 0.44
TPSAB1 Q15661 7/20 0.44
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
TLR2 O60603 4/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
SIRT1 Q96EB6 2/20 0.42
SIRT3 Q9NTG7 2/20 0.42
EPOR P19235 2/20 0.42
ANPEP P15144 1/20 0.42
LTA4H P09960 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL7761868 1.00 PRSS1 (0.44) PRSS1PRSS2PRSS3TPSAB1CPB1
SCHEMBL21293821 0.86 TLR2 (0.55) PRSS1PRSS2PRSS3TPSAB1CPB1
SCHEMBL21293823 0.86 TLR2 (0.55) PRSS1PRSS2PRSS3TPSAB1CPB1
Charcoal, Activated SCHEMBL29433728 0.83 ANPEP (0.55) PRSS1PRSS2PRSS3TPSAB1CPB1
Hydrochloric Acid SCHEMBL29433727 0.82 ANPEP (0.54) PRSS1PRSS2PRSS3TPSAB1CPB1
SCHEMBL7226850 0.81 MMP2 (0.50) CPB1CPB2TLR2EPORANPEP
SCHEMBL7226853 0.81 MMP2 (0.50) CPB1CPB2TLR2EPORANPEP
Methane SCHEMBL28261132 0.80 MMP2 (0.49) CPB1CPB2TLR2EPORANPEP
SCHEMBL3982664 0.77 NPC1 (0.46) PRSS1PRSS2PRSS3TPSAB1CPB1
SCHEMBL28258066 0.76 NMT2 (0.41) SIRT1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105416-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS Keystone Biomedical, Inc. (US) 2001-06-13 EP claimed
WO-2000009547-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS KEYSTONE BIOMEDICAL, INC. (US) 2000-02-24 WO claimed
EP-1105416-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS Keystone Biomedical, Inc. (US) 2001-06-13 EP disclosed
WO-2000009547-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS KEYSTONE BIOMEDICAL, INC. (US) 2000-02-24 WO disclosed