SCHEMBL5504444

SCHEMBL5504444

CCOC(=O)C=Cc1c(C(=O)OCC)[nH]c2ccc(-c3ccc(C(F)(F)F)cn3)c(-c3ccc(OC(C)C)cc3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 5/20 0.38
MLYCD O95822 1/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GCK P35557 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 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
SCHEMBL5540873 0.91 KDM4E (0.42) KDM4EL3MBTL1MAPTPOLBMEN1
SCHEMBL5573437 0.89 KDM4E (0.38) KDM4EL3MBTL1MAPTPOLBMEN1
SCHEMBL5574783 0.88 KDM4E (0.44) KDM4EL3MBTL1MAPTPOLBMEN1
SCHEMBL5571405 0.87 KDM4E (0.43) KDM4EL3MBTL1MAPTPOLBMEN1
SCHEMBL5574005 0.86 KDM4E (0.43) KDM4EL3MBTL1MAPTPOLBMEN1
SCHEMBL5571417 0.86 KDM4E (0.43) KDM4EL3MBTL1MAPTPOLBMEN1
SCHEMBL5571402 0.86 KDM4E (0.43) KDM4EL3MBTL1MAPTPOLBMEN1
SCHEMBL5570203 0.86 KDM4E (0.43) KDM4EL3MBTL1MAPTPOLBMEN1
SCHEMBL5571416 0.86 MLYCD (0.38) KDM4EL3MBTL1MLYCDPOLBMEN1
SCHEMBL5574197 0.84 KDM4E (0.41) KDM4EL3MBTL1MAPTPOLBMEN1

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-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed