SCHEMBL6166950

SCHEMBL6166950

COc1ccc(COc2ccc(Cl)cc2C=O)cc1.O=Cc1cc(Cl)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.52
TRIM24 O15164 1/20 0.46
TYR P14679 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
MAOB P27338 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CCR5 P51681 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TUBB1 Q9H4B7 1/20 0.45
ABL1 P00519 1/20 0.45
ABCB1 P08183 1/20 0.45
BCR P11274 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.44
TACR2 P21452 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOA P21397 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL5631282 0.93 TUBB1 (0.51) MEN1KMT2ACCR5L3MBTL1TUBB1
SCHEMBL21347524 0.82 TUBB1 (0.59) ERN1TRIM24TYRTRIM33CCR5
SCHEMBL31166742 0.81 TRIM24 (0.52) ERN1TRIM24TYRTRIM33MAOB
SCHEMBL6168319 0.81 CCR5 (0.42) MAOBMEN1KMT2ACCR5TUBB1
SCHEMBL7147744 0.81 TUBB1 (0.66) MAOBMEN1KMT2ACCR5L3MBTL1
SCHEMBL28867061 0.79 TRIM24 (0.73) ERN1TRIM24TYRTRIM33MAOB
SCHEMBL21822700 0.79 ALDH1A1 (0.57) ERN1TRIM24TYRTRIM33MEN1
SCHEMBL5286017 0.78 ALDH1A1 (0.56) TRIM24TYRTRIM33MAOBMEN1
SCHEMBL7150750 0.78 TUBB1 (0.55) MAOBMEN1KMT2ACCR5L3MBTL1
SCHEMBL23042981 0.78 TUBB1 (0.49) TRIM24TYRTRIM33CCR5L3MBTL1

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-1509499-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
WO-2003101959-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-12-11 WO disclosed