SCHEMBL16359759

SCHEMBL16359759

COCC1C[C@@H](OC(=O)c2ccccc2)[C@H](O)C(O)C1O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43

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
SCHEMBL2621370 0.85 SLC5A1 (0.50) CHRM2CHRM4CHRM1CHRM3
SCHEMBL2621375 0.80 RECQL (0.39) CHRM2CHRM4CHRM1CHRM3
SCHEMBL9469882 0.79 LGALS9 (0.46) CHRM2CHRM4CHRM1CHRM3HTR3E
SCHEMBL16299854 0.77 PTPN1 (0.39) CHRM2CHRM4CHRM1CHRM3
SCHEMBL26806110 0.75 CHRNA7 (0.45) CHRM2CHRM4CHRM1CHRM3HTR3E
SCHEMBL11493141 0.73 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3HTR3E
SCHEMBL11608833 0.73 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3HTR3E
SCHEMBL11493146 0.73 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3HTR3E
SCHEMBL11088790 0.73 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3HTR3E
SCHEMBL11612057 0.73 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3HTR3E

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-2010054406-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ALNYLAM PHARMACEUTICALS, INC. (US) 2010-05-14 WO disclosed