SCHEMBL7094957

SCHEMBL7094957

C=CCCC(CC(C)C)(C(N)=O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL27587659 0.80 GRM2 (0.39) GRM2GRM3
SCHEMBL15565360 0.75 ABCC4 (0.39) TSHR
SCHEMBL7470248 0.75 GRM2 (0.34) GRM2GRM3
SCHEMBL31147030 0.74 TSHR (0.36) GRM2GRM3TSHR
SCHEMBL16892927 0.73 CA2 (0.36) GRM2GRM3
SCHEMBL2139826 0.71 GRM2 (0.39) GRM2GRM3TSHR
Trifluoroacetic Acid SCHEMBL6890645 0.71 GRM2 (0.36) GRM2GRM3
SCHEMBL28426903 0.69 GRM2 (0.32) GRM2GRM3
SCHEMBL28886364 0.69 GRM2 (0.35) GRM2GRM3
SCHEMBL30873728 0.68 MMP8 (0.32) GRM2GRM3

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
EP-0815084-B1 LACTAM-CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEASE PROCTER & GAMBLE (US) 2003-08-27 EP disclosed