SCHEMBL7061564

SCHEMBL7061564

CCO/C=C(/C(=O)OC)c1ccccc1Oc1cc(Oc2c(F)cccc2F)ncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.37
KDR P35968 2/20 0.35
MAPK14 Q16539 2/20 0.35
TNNI3K Q59H18 2/20 0.35
MAP2K7 O14733 2/20 0.34
MAPK8 P45983 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM4 P08173 1/20 0.34
RAF1 P04049 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL29358789 0.90 GCK (0.36) GCKKDRMAPK14TNNI3KSMN1; SMN2
SCHEMBL203206 0.90 GCK (0.36) GCKKDRMAPK14TNNI3KSMN1; SMN2
SCHEMBL29078303 0.84 GCK (0.35) GCKKDRMAPK14TNNI3KMAPK8
SCHEMBL29359104 0.84 MAPK8 (0.39) GCKKDRMAPK8LMNASMN1; SMN2
SCHEMBL8958973 0.84 MAPK8 (0.39) GCKKDRMAPK8LMNASMN1; SMN2
SCHEMBL203515 0.84 MAPK8 (0.39) GCKKDRMAPK8LMNASMN1; SMN2
SCHEMBL899336 0.83 ALDH1A1 (0.38) MAPK14SMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL899339 0.83 ALDH1A1 (0.38) MAPK14SMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL29362167 0.81 CHRM4 (0.36) GCKKDRMAPK14TNNI3KKMT2A
SCHEMBL2849778 0.81 CHRM4 (0.36) GCKKDRMAPK14TNNI3KKMT2A

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-1313368-A1 SYNERGISTIC BIOCIDAL COMPOSITION THOR GmbH (DE) 2003-05-28 EP disclosed
WO-2002015693-A1 SYNERGISTIC BIOCIDAL COMPOSITION THOR GMBH (DE) 2002-02-28 WO disclosed