SCHEMBL7956781

SCHEMBL7956781

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.46
GRIK1 P39086 4/20 0.45
GRIK2 Q13002 4/20 0.45
ADAM17 P78536 1/20 0.42
PAM P19021 1/20 0.41
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPOR P19235 1/20 0.38
PIN1 Q13526 1/20 0.38

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
SCHEMBL7956778 1.00 HTR2A (0.46) HTR2AGRIK1GRIK2ADAM17PAM
SCHEMBL3252075 0.81 HTR2A (0.56) HTR2AGRIK1GRIK2ADAM17PAM
SCHEMBL3252073 0.81 HTR2A (0.56) HTR2AGRIK1GRIK2ADAM17PAM
SCHEMBL6193437 0.79 HTR2A (0.54) HTR2AGRIK1GRIK2ADAM17PAM
SCHEMBL4290351 0.79 HTR2A (0.54) HTR2AGRIK1GRIK2ADAM17PAM
SCHEMBL6193432 0.79 HTR2A (0.54) HTR2AGRIK1GRIK2ADAM17PAM
SCHEMBL4290347 0.79 HTR2A (0.54) HTR2AGRIK1GRIK2ADAM17PAM
SCHEMBL8267423 0.76 GRIK1 (0.59) HTR2AGRIK1GRIK2PAM
SCHEMBL7876539 0.74 SMN1; SMN2 (0.46)
SCHEMBL1716478 0.74 HTR2A (0.59) HTR2AGRIK1GRIK2PAMGLA

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-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 US disclosed