SCHEMBL8570406

SCHEMBL8570406

Cc1cc(=O)oc2c(F)c(OC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(F)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.58
CA9 Q16790 6/20 0.58
CA1 P00915 5/20 0.58
CA2 P00918 2/20 0.58
KMT2A Q03164 3/20 0.52
CA7 P43166 2/20 0.50
CA13 Q8N1Q1 2/20 0.50
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 3/20 0.47
EPHX2 P34913 1/20 0.47
SOST Q9BQB4 1/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2C19 P33261 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL381305 1.00 CA12 (0.58) CA12CA9CA1CA2KMT2A
SCHEMBL2216616 1.00 CA12 (0.58) CA12CA9CA1CA2KMT2A
SCHEMBL22078960 1.00 CA12 (0.58) CA12CA9CA1CA2KMT2A
SCHEMBL30434987 1.00 CA12 (0.58) CA12CA9CA1CA2KMT2A
SCHEMBL2287566 1.00 CA12 (0.58) CA12CA9CA1CA2KMT2A
SCHEMBL24426595 1.00 CA12 (0.58) CA12CA9CA1CA2KMT2A
SCHEMBL26356083 0.86 KMT2A (0.62) CA12CA9CA1CA2KMT2A
SCHEMBL16098409 0.86 KMT2A (0.50) CA12CA9CA1CA2KMT2A
SCHEMBL3074305 0.86 KMT2A (0.50) CA12CA9CA1CA2KMT2A
SCHEMBL23479723 0.85 KMT2A (0.55) CA12CA9CA1CA2KMT2A

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 3 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
US-5830912-A Derivatives of 6,8-difluoro-7-hydroxycoumarin MOLECULAR PROBES, INC. (US) 1998-11-03 US disclosed