SCHEMBL27490368

SCHEMBL27490368

CC(C)(C)ONc1ccc(N2CC(OC=O)OC2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.35
FADS1 O60427 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
SCHEMBL21908254 0.62 ALDH1A1 (0.47)
SCHEMBL7458575 0.60 NAMPT (0.42)
SCHEMBL4957741 0.60 RORC (0.49) GRM2
SCHEMBL29074516 0.59 NR4A1 (0.47)
SCHEMBL22422907 0.58 GRM2 (0.58) GRM2FADS1
SCHEMBL14564037 0.57 GRM2 (0.62) GRM2FADS1
SCHEMBL4761237 0.57 F10 (0.59) GRM2
SCHEMBL14183172 0.57 GRM2 (0.62) GRM2FADS1
SCHEMBL9846424 0.57 GRM2 (0.50) GRM2FADS1
SCHEMBL7776971 0.56 FADS1 (0.64) GRM2FADS1

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
CN-1204889-C Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2005-06-08 CN disclosed