SCHEMBL6510309

SCHEMBL6510309

N[C@@H](CC1(C(=O)c2ccccc2)C=CC=CC1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
KIF11 P52732 4/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
SLC1A5 Q15758 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
CASR P41180 1/20 0.33
LTA4H P09960 1/20 0.33
GRM1 Q13255 1/20 0.32

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
SCHEMBL6510307 1.00 ALPI (0.37) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7382594 0.79 SLC15A1 (0.41) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7382590 0.79 SLC15A1 (0.41) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5001430 0.76 GRM1 (0.34) GRM1
SCHEMBL6518359 0.75 ALPI (0.39) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27257820 0.75 GRM1 (0.36) GRM1
SCHEMBL7560765 0.75 AKT1 (0.35)
SCHEMBL11441416 0.74 PTGS1 (0.37) PTGS1GRM1
SCHEMBL8838229 0.73 SLC7A5 (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL30284985 0.73 ALDH1A1 (0.41) LTA4H

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-20050153357-A1 Bioactive sensors EICHLER JUTTA (DE) 2005-07-14 US disclosed
US-20020127577-A1 Bioactive sensors GRAFFINITY PHARMACEUTICALS AG (DE) 2002-09-12 US disclosed