SCHEMBL9908703

SCHEMBL9908703

B[C@H]1C[C@@H](OC[C@H]2O[C@@H](B)C[C@H]2OC(=O)c2ccccc2)[C@@H](CC)O1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.42
BCHE P06276 3/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
UPP1 Q16831 1/20 0.38
KCNH2 Q12809 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL768015 1.00 RNASE1 (0.42) RNASE1BCHECHRM2CHRM4CHRM1
SCHEMBL767866 0.93 RNASE1 (0.44) RNASE1BCHECHRM2CHRM4CHRM1
SCHEMBL9908701 0.93 RNASE1 (0.44) RNASE1BCHECHRM2CHRM4CHRM1
SCHEMBL767835 0.86 LGALS9 (0.40) RNASE1BCHECHRM2CHRM4CHRM1
SCHEMBL9908698 0.86 LGALS9 (0.40) RNASE1BCHECHRM2CHRM4CHRM1
SCHEMBL15216170 0.81 RNASE1 (0.40) RNASE1BCHECHRM2CHRM4CHRM1
SCHEMBL15216169 0.81 RNASE1 (0.40) RNASE1BCHECHRM2CHRM4CHRM1
SCHEMBL18271850 0.81 RNASE1 (0.53) RNASE1BCHECHRM2CHRM4CHRM1
SCHEMBL12222436 0.79 RNASE1 (0.45) RNASE1BCHECHRM2CHRM4CHRM1
SCHEMBL9908699 0.79 BCHE (0.37) RNASE1BCHEPOLB

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
US-9512164-B2 Oligonucleotide end caps ALNYLAM PHARMACEUTICALS, INC. (US) 2016-12-06 US disclosed
US-20120142101-A1 OLIGONUCLEOTIDE END CAPS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed