SCHEMBL9753069

SCHEMBL9753069

COC(=O)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
PPM1D O15297 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
BTK Q06187 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
SCHEMBL1498724 0.92 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1498725 0.92 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL19149236 0.92 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL18338627 0.89 PPM1D (0.38) PPM1DBTK
SCHEMBL18338628 0.89 PPM1D (0.38) PPM1DBTK
SCHEMBL18338642 0.89 PPM1D (0.38) PPM1DBTK
SCHEMBL15046764 0.85 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL19148890 0.81 SMN1; SMN2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL21057498 0.81 PPM1D (0.34) PPM1D
SCHEMBL16167661 0.81 SMN1; SMN2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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-1991007378-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-05-30 WO disclosed