SCHEMBL66293

SCHEMBL66293

CCOC(=O)C1C(OS(=O)(=O)C(F)(F)F)CCN(C(=O)O)C1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
POLB P06746 1/20 0.30

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
SCHEMBL65230 0.73 MAPT (0.33)
SCHEMBL64035 0.72 SLC6A2 (0.37)
SCHEMBL30800899 0.70 FKBP1A (0.32)
SCHEMBL31603249 0.70 TACR1 (0.36)
SCHEMBL31603373 0.70 TACR1 (0.36)
SCHEMBL31603489 0.68
SCHEMBL66292 0.68 ALDH1A1 (0.35)
SCHEMBL368178 0.68 PPM1B (0.39) PPM1BPTPN1PPP1CC
SCHEMBL25282754 0.67 PPM1D (0.34)
SCHEMBL17674517 0.67 PPM1D (0.34)

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
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed