SCHEMBL7399033

SCHEMBL7399033

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 4/20 0.41
PRKCD Q05655 4/20 0.41
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
CA3 P07451 1/20 0.38
PPARG P37231 1/20 0.37
SPHK1 Q9NYA1 7/20 0.37
SPHK2 Q9NRA0 5/20 0.37
PRKCG P05129 2/20 0.36
PRKCB P05771 2/20 0.36
PRKCH P24723 2/20 0.36
PRKCE Q02156 2/20 0.36
PRKCQ Q04759 2/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
CTRC Q99895 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 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
SCHEMBL7403999 1.00 PRKCA (0.41) PRKCAPRKCDITGB3ITGA2BCA3
SCHEMBL7398589 1.00 PRKCA (0.41) PRKCAPRKCDITGB3ITGA2BCA3
SCHEMBL7397347 0.88 PRKCA (0.40) PRKCAPRKCD
SCHEMBL7399030 0.88 PRKCA (0.40) PRKCAPRKCD
SCHEMBL7397351 0.88 PRKCA (0.40) PRKCAPRKCD
SCHEMBL7398536 0.83 PRKCA (0.37) PRKCAPRKCDITGB3ITGA2BCA3
SCHEMBL7398538 0.83 PRKCA (0.37) PRKCAPRKCDITGB3ITGA2BCA3
SCHEMBL7398691 0.82 F2 (0.43) PRKCAPRKCDITGB3ITGA2BPRKCG
SCHEMBL7392199 0.82 SPHK1 (0.40) PRKCAPRKCDITGB3ITGA2BCA3
SCHEMBL7399369 0.82 ITGB3 (0.42) PRKCAPRKCDITGB3ITGA2BSPHK1

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