SCHEMBL11428313

SCHEMBL11428313

CC(=O)NC1C=C(C(=O)O)C=CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NEU4 Q8WWR8 2/20 0.33
NEU3 Q9UQ49 2/20 0.33
NEU2 Q9Y3R4 2/20 0.33
NEU1 Q99519 1/20 0.33

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
SCHEMBL16543593 0.80 SMN1; SMN2 (0.33) SMN1; SMN2NPSR1
SCHEMBL13887303 0.79 NFKB1 (0.32) SMN1; SMN2NPSR1
SCHEMBL23095736 0.73
SCHEMBL11428317 0.71
SCHEMBL1355394 0.68
Hydrochloric Acid SCHEMBL11426078 0.67 OAT (0.36)
SCHEMBL14653231 0.64 SMN1; SMN2 (0.31) SMN1; SMN2NPSR1
SCHEMBL9288572 0.61 MAPK1 (0.35) SMN1; SMN2
SCHEMBL10062135 0.61 MAPK1 (0.33) SMN1; SMN2
SCHEMBL12673693 0.61 NFKB1 (0.33) SMN1; SMN2NPSR1

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-4187316-A ENZYME INHIBITORS MERRELL TORAUDE ET COMPAGNIE (FR) 1980-02-05 US disclosed