SCHEMBL7401296

SCHEMBL7401296

COC(=O)C[C@H]1CC(=O)O[C@@H](CCCCc2ccc(C(=N)N)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.38
F10 P00742 5/20 0.38
PRSS1 P07477 3/20 0.38
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
SPHK1 Q9NYA1 3/20 0.36
SPHK2 Q9NRA0 2/20 0.36
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
BRD4 O60885 1/20 0.36
ST14 Q9Y5Y6 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
SCHEMBL7401295 1.00 F2 (0.38) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7399369 0.88 ITGB3 (0.42) F2ITGB3ITGA2BSPHK1PRKCA
SCHEMBL7394223 0.83 GRM2 (0.38) PRKCAPRKCDBRD4
SCHEMBL7394225 0.83 GRM2 (0.38) PRKCAPRKCDBRD4
SCHEMBL7403999 0.81 PRKCA (0.41) F2PRSS1ITGB3ITGA2BSPHK1
SCHEMBL7398589 0.81 PRKCA (0.41) F2PRSS1ITGB3ITGA2BSPHK1
SCHEMBL7399033 0.81 PRKCA (0.41) F2PRSS1ITGB3ITGA2BSPHK1
SCHEMBL7397347 0.81 PRKCA (0.40) PRKCAPRKCD
SCHEMBL7397351 0.81 PRKCA (0.40) PRKCAPRKCD
SCHEMBL7399030 0.81 PRKCA (0.40) PRKCAPRKCD

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 4 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
US-5646183-A Phenyl amidine alkanoic acids useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1997-07-08 US disclosed
US-5612355-A Phenyl amidine lactones useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1997-03-18 US disclosed
WO-1994000424-A1 PHENYL AMIDINE ALKANOIC ACIDS AND LACTONES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-06 WO disclosed