SCHEMBL8991216

SCHEMBL8991216

NN=Cc1ccc(CCCCC2C(=O)OCCC2C2CCCCC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G6 O60733 2/20 0.30
CEL P19835 1/20 0.30
PLA2G4A P47712 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL8991248 0.83 PLA2G6 (0.34) PLA2G6PLA2G4A
SCHEMBL8991212 0.81 PLA2G6 (0.31) PLA2G6PLA2G4A
SCHEMBL8991317 0.78 CA1 (0.31)
SCHEMBL7392204 0.73 PRKCA (0.36)
SCHEMBL8991198 0.69 PPARA (0.32)
SCHEMBL7398400 0.69 CYP1A2 (0.38)
SCHEMBL7397355 0.64 PRKCA (0.39)
SCHEMBL7404000 0.63 PRKCD (0.38) PLA2G6
SCHEMBL7399372 0.62 PRKCA (0.37)
SCHEMBL7398539 0.62 PRKCA (0.35)

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-5504106-A Phenyl amidine alkanoic acids and lactones useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1996-04-02 US disclosed