SCHEMBL3403710

SCHEMBL3403710

COc1ccc(C(C)=O)c(-n2cc(O[C@@H]3[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]3O)c3ccccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
SLC5A2 P31639 2/20 0.38
SLC5A1 P13866 1/20 0.38
BCL2 P10415 2/20 0.38
CA12 O43570 4/20 0.37
CA9 Q16790 4/20 0.37
CA1 P00915 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3402480 0.91 SLC5A1 (0.41) SLC5A2SLC5A1BCL2RAB9APOLB
SCHEMBL3403720 0.90 SLC5A1 (0.50) SLC5A2SLC5A1NPC1RAB9A
SCHEMBL3403729 0.90 SLC5A1 (0.50) SLC5A2SLC5A1NPC1RAB9A
SCHEMBL152728 0.89 SLC28A3 (0.39) SLC5A2SLC5A1POLB
SCHEMBL154554 0.89 SLC5A2 (0.36) CYP3A4CYP2C9SLC5A2SLC5A1CA12
SCHEMBL155942 0.87 SLC5A1 (0.36) SLC5A2SLC5A1CA12CA9CA1
SCHEMBL152934 0.82 SMN1; SMN2 (0.39) CYP3A4CYP2C9SLC5A2SLC5A1ALDH1A1
SCHEMBL156208 0.82 NR4A2 (0.43) SLC5A2SLC5A1POLB
SCHEMBL3402483 0.80 SLC5A1 (0.50) SLC5A2SLC5A1NPC1RAB9A
SCHEMBL3402487 0.80 SLC5A1 (0.50) SLC5A2SLC5A1NPC1RAB9A

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
EP-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed
EP-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 EP disclosed