SCHEMBL15799385

SCHEMBL15799385

CCOC(=O)[C@H]1CC1c1cncc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
CA12 O43570 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CHEK1 O14757 2/20 0.35
CHEK2 O96017 2/20 0.35
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL17259084 1.00 MAPT (0.39) MAPTPKMCA1CA2CA9
SCHEMBL15799384 1.00 MAPT (0.39) MAPTPKMCA1CA2CA9
SCHEMBL15805083 1.00 MAPT (0.39) MAPTPKMCA1CA2CA9
SCHEMBL24890891 0.84 TSHR (0.47) CA1CA2CA9CA12ALDH1A1
SCHEMBL29940167 0.84 TDP1 (0.41) MAPTPKMCA1CA2CA9
SCHEMBL29302480 0.84 TDP1 (0.41) MAPTPKMCA1CA2CA9
SCHEMBL30715022 0.82 TDP1 (0.40) MAPTPKMCA1CA2CA9
SCHEMBL15805068 0.81 MAPT (0.40) MAPTPKMCA1CA2CA9
SCHEMBL15799264 0.81 MAPT (0.40) MAPTPKMCA1CA2CA9
SCHEMBL17259112 0.81 MAPT (0.40) MAPTPKMCA1CA2CA9

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-2931708-A2 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF Diverchim (FR) 2015-10-21 EP disclosed
WO-2014091167-A2 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF DIVERCHIM (FR) 2014-06-19 WO disclosed