SCHEMBL9698932

SCHEMBL9698932

CN(CCOC[C@]1(CO)CO[C@@H](c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)OC1)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 4/20 0.40
ACHE P22303 5/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL9700239 0.89 SOAT1 (0.47) SOAT1ACHEALDH1A1SMN1; SMN2GAA
SCHEMBL9700086 0.89 SOAT1 (0.47) SOAT1ACHEALDH1A1SMN1; SMN2GAA
SCHEMBL9698703 0.84 SOAT1 (0.49) SOAT1ACHE
SCHEMBL9738313 0.83 SOAT1 (0.39) SOAT1ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL9736515 0.82 SOAT1 (0.40) SOAT1ALDH1A1KDM4E
SCHEMBL9698731 0.80 SOAT1 (0.51) SOAT1ACHE
SCHEMBL9700125 0.80 SOAT1 (0.50) SOAT1ACHE
SCHEMBL9697999 0.80 SOAT1 (0.63) SOAT1
SCHEMBL9698729 0.80 SOAT1 (0.63) SOAT1
SCHEMBL9698755 0.79 SOAT1 (0.43) SOAT1ALDH1A1KDM4E

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