SCHEMBL7392199

SCHEMBL7392199

N=C(N)c1ccc(CCCC[C@@H]2C[C@H](C3CCCCC3)CC(=O)O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 10/20 0.40
PRKCA P17252 3/20 0.38
PRKCD Q05655 3/20 0.38
PRKCG P05129 2/20 0.38
PRKCB P05771 2/20 0.38
PRKCH P24723 2/20 0.38
PRKCE Q02156 2/20 0.38
PRKCQ Q04759 2/20 0.38
F2 P00734 3/20 0.37
SPHK2 Q9NRA0 3/20 0.36
PRSS1 P07477 1/20 0.36
CTRC Q99895 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
CA3 P07451 1/20 0.35

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
SCHEMBL7392202 1.00 SPHK1 (0.40) SPHK1PRKCAPRKCDPRKCGPRKCB
SCHEMBL7397347 0.84 PRKCA (0.40) PRKCAPRKCD
SCHEMBL7399030 0.84 PRKCA (0.40) PRKCAPRKCD
SCHEMBL7397351 0.84 PRKCA (0.40) PRKCAPRKCD
SCHEMBL7399033 0.82 PRKCA (0.41) SPHK1PRKCAPRKCDPRKCGPRKCB
SCHEMBL7403999 0.82 PRKCA (0.41) SPHK1PRKCAPRKCDPRKCGPRKCB
SCHEMBL7398589 0.82 PRKCA (0.41) SPHK1PRKCAPRKCDPRKCGPRKCB
SCHEMBL7392204 0.80 PRKCA (0.36) PRKCAPRKCDPRKCGPRKCBPRKCH
SCHEMBL7398398 0.80 SPHK1 (0.40) SPHK1F2SPHK2PRSS1CTRC
SCHEMBL7398536 0.80 PRKCA (0.37) PRKCAPRKCDPRKCGPRKCBPRKCH

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