SCHEMBL7399369

SCHEMBL7399369

N=C(N)c1ccc(CCCCC2CC(CC(=O)O)CC(=O)O2)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.42
ITGA2B P08514 15/20 0.42
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
F2 P00734 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36

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
SCHEMBL7401296 0.88 F2 (0.38) ITGB3ITGA2BPRKCAPRKCDF2
SCHEMBL7401295 0.88 F2 (0.38) ITGB3ITGA2BPRKCAPRKCDF2
SCHEMBL7397347 0.84 PRKCA (0.40) PRKCAPRKCD
SCHEMBL7399030 0.84 PRKCA (0.40) PRKCAPRKCD
SCHEMBL7397351 0.84 PRKCA (0.40) PRKCAPRKCD
SCHEMBL7406684 0.83 PRKCA (0.40) ITGB3ITGA2BPRKCAPRKCDF2
SCHEMBL7396164 0.83 PRKCA (0.40) ITGB3ITGA2BPRKCAPRKCDF2
SCHEMBL7398589 0.82 PRKCA (0.41) ITGB3ITGA2BPRKCAPRKCDF2
SCHEMBL7403999 0.82 PRKCA (0.41) ITGB3ITGA2BPRKCAPRKCDF2
SCHEMBL7399033 0.82 PRKCA (0.41) ITGB3ITGA2BPRKCAPRKCDF2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994000424-A1 PHENYL AMIDINE ALKANOIC ACIDS AND LACTONES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-06 WO claimed
WO-1994000424-A1 PHENYL AMIDINE ALKANOIC ACIDS AND LACTONES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-06 WO disclosed