SCHEMBL8021025

SCHEMBL8021025

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1COc1ccc(C(F)(F)F)cc1-c1cccc(N2CCC(C(=O)O)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 19/20 0.39
GUCY1A2 P33402 19/20 0.39
GUCY1A1 Q02108 19/20 0.39
GUCY1B1 Q02153 19/20 0.39
PRKD3 O94806 1/20 0.38
S1PR1 P21453 1/20 0.38
CDK7 P50613 1/20 0.38
JAK3 P52333 1/20 0.38
TNK2 Q07912 1/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL4000871 0.93 L3MBTL1 (0.38) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3998970 0.91 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL4000642 0.83 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3995946 0.82 CYP2C9 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1S1PR1
SCHEMBL4004104 0.82 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL4003135 0.82 PTGDR2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PRKD3
SCHEMBL3997108 0.80 ITGB2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1S1PR1
SCHEMBL3997847 0.80 CETP (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PRKD3
SCHEMBL3229753 0.79 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3998943 0.78 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed