SCHEMBL12069028

SCHEMBL12069028

O=C(O[C@@H]1[C@@H](CO)CC[C@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 1/20 0.45
LGALS1 P09382 1/20 0.45
LGALS3 P17931 1/20 0.45
LGALS7; LGALS7B P47929 1/20 0.45
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
CHRNA7 P36544 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC18A3 Q16572 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL15215812 1.00 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRM2
SCHEMBL802486 0.84 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3CHRNA7
SCHEMBL9469882 0.77 LGALS9 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRM2
SCHEMBL15215757 0.75 LGALS9 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRM2
SCHEMBL15095818 0.75 LGALS9 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRM2
SCHEMBL2621370 0.75 SLC5A1 (0.50) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRM2
SCHEMBL10240925 0.75 CHRM2 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRM2
SCHEMBL12392953 0.75 LGALS9 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRM2
SCHEMBL12070275 0.75 LGALS9 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRM2
SCHEMBL15215807 0.75 LGALS9 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRM2

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-2011159177-A1 IMPROVED AMINOHYDROXYLATION OF ALKENES INDUSTRIAL RESEARCH LIMITED (NZ) 2011-12-22 WO disclosed