SCHEMBL5211481

SCHEMBL5211481

Cc1ccc2oc(C(=O)Cl)cc(=O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.60
THRB P10828 1/20 0.60
MAPT P10636 3/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 3/20 0.53
CSNK2A2 P19784 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
MAOB P27338 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 3/20 0.51
TP53 P04637 2/20 0.51
CYP3A4 P08684 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL379054 0.85 ALDH1A1 (0.67) POLBTHRBMAPTHTTALDH1A1
SCHEMBL30643052 0.85 POLB (0.62) POLBTHRBMAPTHTTALDH1A1
SCHEMBL8265824 0.85 POLB (0.62) POLBTHRBMAPTHTTALDH1A1
SCHEMBL2625191 0.83 POLB (0.59) POLBTHRBMAPTHTTALDH1A1
SCHEMBL13015507 0.83 POLB (0.63) POLBTHRBMAPTHTTALDH1A1
SCHEMBL18165460 0.81 POLB (0.61) POLBTHRBMAPTMAOBMEN1
SCHEMBL5206777 0.81 GABRP (0.54) ALDH1A1CSNK2A2CSNK2BCSNK2A1MAOB
SCHEMBL22617461 0.79 MAOB (0.76) POLBTHRBMAPTCSNK2A2CSNK2B
SCHEMBL4504897 0.78 TAS1R3 (0.54) MAPTALDH1A1MAOBKDM4EHPGD
SCHEMBL6633181 0.78 CSNK2A2 (0.72) POLBMAPTHTTALDH1A1CSNK2A2

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-1711490-A4 NOVEL P-GLYCOPROTEIN INHIBITOR, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HANMI PHARM IND CO LTD (KR) 2007-04-04 EP disclosed
EP-1711490-A1 NOVEL P-GLYCOPROTEIN INHIBITOR, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Hanmi Pharm. Co., Ltd. (KR) 2006-10-18 EP disclosed
WO-2005033101-A1 NOVEL P-GLYCOPROTEIN INHIBITOR, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HANMI PHARM. CO., LTD. (KR) 2005-04-14 WO disclosed