SCHEMBL16098409

SCHEMBL16098409

O=c1cc(CCl)c2cc(F)c(OC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(F)c2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
CA12 O43570 6/20 0.46
CA9 Q16790 6/20 0.46
CA1 P00915 5/20 0.46
CA7 P43166 2/20 0.46
CA13 Q8N1Q1 2/20 0.46
MEN1 O00255 3/20 0.46
CA2 P00918 2/20 0.44
SOST Q9BQB4 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
CASP1 P29466 3/20 0.41
CASP7 P55210 3/20 0.41
HSD17B10 Q99714 3/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
CYP2C19 P33261 1/20 0.41
AMY1A P0DUB6 1/20 0.41
STAT6 P42226 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
SCHEMBL3074305 1.00 KMT2A (0.50) KMT2ACA12CA9CA1CA7
SCHEMBL15120723 0.87 KMT2A (0.48) KMT2ACA12CA9CA1CA7
SCHEMBL15119699 0.87 KMT2A (0.48) KMT2ACA12CA9CA1CA7
SCHEMBL24426595 0.86 CA12 (0.58) KMT2ACA12CA9CA1CA7
SCHEMBL381305 0.86 CA12 (0.58) KMT2ACA12CA9CA1CA7
SCHEMBL2216616 0.86 CA12 (0.58) KMT2ACA12CA9CA1CA7
SCHEMBL2287566 0.86 CA12 (0.58) KMT2ACA12CA9CA1CA7
SCHEMBL8570406 0.86 CA12 (0.58) KMT2ACA12CA9CA1CA7
SCHEMBL22078960 0.86 CA12 (0.58) KMT2ACA12CA9CA1CA7
SCHEMBL30434987 0.86 CA12 (0.58) KMT2ACA12CA9CA1CA7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3206723-A1 BIOLOGICAL INDICATOR American Sterilizer Company (US) 2017-08-23 EP claimed
WO-2016060714-A1 BIOLOGICAL INDICATOR AMERICAN STERILIZER COMPANY (US) 2016-04-21 WO claimed
EP-2970992-A1 STERILIZATION INDICATOR INCLUDING A SIMPLIFIED GENETICALLY ENGINEERED BIOLOGICAL INDICATOR American Sterilizer Company (US) 2016-01-20 EP disclosed
WO-2014149379-A1 STERILIZATION INDICATOR INCLUDING A SIMPLIFIED GENETICALLY ENGINEERED BIOLOGICAL INDICATOR AMERICAN STERILIZER COMPANY (US) 2014-09-25 WO disclosed