SCHEMBL10001637

SCHEMBL10001637

C#CCNC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.56
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
SLC7A5 Q01650 1/20 0.56
SLC15A1 P46059 1/20 0.53
MMP2 P08253 2/20 0.52
LTA4H P09960 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
ANPEP P15144 1/20 0.50
RNPEP Q9H4A4 1/20 0.50
DNPEP Q9ULA0 1/20 0.50
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48

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
SCHEMBL20854846 0.89 CTSC (0.46) CTSCALPIPKMPTGS1XIAP
SCHEMBL583172 0.85 ALPI (0.58) CTSCALPIPKMPTGS1XIAP
SCHEMBL583171 0.85 ALPI (0.58) CTSCALPIPKMPTGS1XIAP
SCHEMBL16626138 0.84 CTSS (0.67) CTSCALPIPKMPTGS1XIAP
SCHEMBL5456972 0.84 CTSS (0.67) CTSCALPIPKMPTGS1XIAP
SCHEMBL5924660 0.84 CTSS (0.67) CTSCALPIPKMPTGS1XIAP
SCHEMBL6653906 0.83 ALPI (0.59) CTSCALPIPKMPTGS1XIAP
SCHEMBL988104 0.83 ALPI (0.59) CTSCALPIPKMPTGS1XIAP
SCHEMBL21010316 0.83 SLC15A1 (0.64) CTSCALPIPKMPTGS1XIAP
SCHEMBL12201779 0.82 ALPI (0.58) CTSCALPIPKMPTGS1XIAP

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
US-8148287-B2 Catalyst immobilization on siliceous mesocellular foam via click chemistry AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-03 US disclosed
US-8148287-B2 Catalyst immobilization on siliceous mesocellular foam via click chemistry AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-03 US disclosed
US-20100105544-A1 CATALYST IMMOBILIZATION ON SILICEOUS MESOCELLULAR FOAM VIA CLICK CHEMISTRY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-04-29 US disclosed
US-20100105544-A1 CATALYST IMMOBILIZATION ON SILICEOUS MESOCELLULAR FOAM VIA CLICK CHEMISTRY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-04-29 US disclosed