SCHEMBL3134765

SCHEMBL3134765

CC(=O)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.56
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC7A5 Q01650 1/20 0.51
SLC15A1 P46059 1/20 0.49
LTA4H P09960 2/20 0.47
CTSD P07339 1/20 0.46
LAP3 P28838 2/20 0.46
ANPEP P15144 1/20 0.46
RNPEP Q9H4A4 1/20 0.46
DNPEP Q9ULA0 1/20 0.46
CTRB1 P17538 3/20 0.46
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45

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
SCHEMBL11026872 0.90 CTSC (0.57) CTSCALPIPKMPTGS1XIAP
SCHEMBL14570232 0.84 CTRB1 (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL11027926 0.83 SLC7A5 (0.55) CTSCALPIPKMPTGS1XIAP
SCHEMBL11025311 0.83 SLC7A5 (0.55) CTSCALPIPKMPTGS1XIAP
SCHEMBL20990275 0.81 CTSC (0.61) CTSCALPIPKMPTGS1XIAP
SCHEMBL20990429 0.81 CTSC (0.61) CTSCALPIPKMPTGS1XIAP
SCHEMBL11026675 0.81 ANPEP (0.53) LTA4HLAP3ANPEPRNPEPDNPEP
SCHEMBL11027002 0.81 ANPEP (0.53) LTA4HLAP3ANPEPRNPEPDNPEP
SCHEMBL11027742 0.81 ANPEP (0.53) LTA4HLAP3ANPEPRNPEPDNPEP
SCHEMBL11037883 0.81 ANPEP (0.53) LTA4HLAP3ANPEPRNPEPDNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009927-A1 Anti-Inflammatory and Anti-Allergy Extracts from Nettle HERBALSCIENCE GROUP LLC (US) 2010-01-14 US disclosed