SCHEMBL9697946

SCHEMBL9697946

C[C@]1(COC(=O)Nc2ccc(F)cc2F)CO[C@@H](c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 14/20 0.54
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
MAPK14 Q16539 1/20 0.51
SOAT2 O75908 1/20 0.44

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
SCHEMBL9698699 0.93 SOAT1 (0.50) SOAT1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9699299 0.85 SOAT1 (0.51) SOAT1
SCHEMBL9697944 0.84 SOAT1 (0.47) SOAT1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9698728 0.84 SOAT1 (0.47) SOAT1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9738813 0.81 SOAT1 (0.65) SOAT1
SCHEMBL9699262 0.80 SOAT1 (0.55) SOAT1
SCHEMBL9737710 0.76 SOAT1 (0.72) SOAT1
SCHEMBL9737115 0.76 SOAT1 (0.72) SOAT1
SCHEMBL9698135 0.74 SOAT1 (0.75) SOAT1
SCHEMBL9699233 0.74 SOAT1 (0.75) SOAT1

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-1992017470-A1 IMIDAZOLES RHONE-POULENC RORER LIMITED (GB) 1992-10-15 WO disclosed
EP-0506437-A1 Imidazoles RHONE POULENC RORER LIMITED (GB) 1992-09-30 EP disclosed