SCHEMBL2593873

SCHEMBL2593873

CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1H2 P55055 1/20 0.31
PPM1D O15297 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
RORC P51449 2/20 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
SCHEMBL143218 0.87 SMN1; SMN2 (0.33) USP2SMN1; SMN2PPM1DCHRM2CHRM1
SCHEMBL15512775 0.87 SMN1; SMN2 (0.33) USP2SMN1; SMN2PPM1DCHRM2CHRM1
SCHEMBL2121652 0.83 PPM1D (0.32) USP2SMN1; SMN2PPM1DCHRM2CHRM1
SCHEMBL29882268 0.78 RORC (0.39) USP2SMN1; SMN2NR1H2PPM1DRORC
SCHEMBL31105174 0.76 PPM1D (0.36) USP2SMN1; SMN2NR1H2PPM1D
SCHEMBL29069175 0.76 PPM1D (0.36) USP2SMN1; SMN2NR1H2PPM1D
SCHEMBL377199 0.76 PPM1D (0.36) USP2SMN1; SMN2NR1H2PPM1D
SCHEMBL29039966 0.76 PPM1D (0.36) USP2SMN1; SMN2NR1H2PPM1D
SCHEMBL29039969 0.76 PPM1D (0.36) USP2SMN1; SMN2NR1H2PPM1D
SCHEMBL142968 0.76 PPM1D (0.36) USP2SMN1; SMN2NR1H2PPM1D

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-2011137022-A1 AZAINDOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-11-03 WO disclosed