SCHEMBL6207447

SCHEMBL6207447

CCC1=CC(=O)C(O)=CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 3/20 0.47
ALOX5 P09917 9/20 0.35
MPEG1 Q2M385 7/20 0.35
GPR84 Q9NQS5 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
PTGES O14684 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
KAT2B Q92831 1/20 0.35

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
SCHEMBL10868487 0.84 STAT3 (0.42) XIAPSTAT3
SCHEMBL16306549 0.80 XIAP (0.38) XIAP
SCHEMBL14838014 0.78 XIAP (0.34) XIAPKDM4EALDH1A1MAPTHPGD
SCHEMBL28875633 0.76 KDM4E (0.43) XIAPALOX5MPEG1GPR84KDM4E
SCHEMBL169616 0.76 KDM4E (0.43) XIAPALOX5MPEG1GPR84KDM4E
SCHEMBL9655273 0.73 STAT3 (0.61) XIAPKDM4EALDH1A1MAPTHPGD
Potassium SCHEMBL31397834 0.73 KDM4E (0.42) XIAPALOX5MPEG1GPR84KDM4E
SCHEMBL11135771 0.73 KDM4E (0.42) XIAPALOX5MPEG1GPR84KDM4E
SCHEMBL28480828 0.73 KDM4E (0.47) XIAPALOX5MPEG1GPR84KDM4E
SCHEMBL28758922 0.73 KDM4E (0.42) XIAPALOX5MPEG1GPR84KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292268-B1 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KGAA (DE) 2005-02-23 EP claimed
EP-1292268-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 EP claimed
WO-2001097764-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO claimed
EP-1292268-B1 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KGAA (DE) 2005-02-23 EP disclosed
EP-1292268-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 EP disclosed
WO-2001097764-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO disclosed