SCHEMBL7984866

SCHEMBL7984866

Cc1c(OCC(=O)OC(C)(C)C)cc2c(c1C)C(=O)c1nc3nonc3nc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.39
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 2/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
ACLY P53396 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTPN1 P18031 1/20 0.31
TNFRSF1A P19438 1/20 0.30

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
SCHEMBL7994925 0.88 PTGES (0.40) PTGESHPGDKDM4EALDH1A1HSD17B10
SCHEMBL7994951 0.82 PTGES (0.56) PTGESHPGDKDM4EALDH1A1HSD17B10
SCHEMBL7984773 0.72 PTGES (0.41) PTGESMEN1KMT2AL3MBTL1LMNA
SCHEMBL7994861 0.70 PTGES (0.59) PTGESALDH1A1POLBMEN1KMT2A
SCHEMBL22535966 0.64 HPGD (0.47) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL7996571 0.62 USP8 (0.59) PTGESHPGDKDM4EALDH1A1POLB
SCHEMBL18703867 0.60 ALDH1A1 (0.43) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL22656552 0.59 POLB (0.50) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL24908732 0.59 KDM4E (0.47) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL20398155 0.59 DDB1 (0.49) HPGDKDM4EALDH1A1HSD17B10POLB

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
WO-2001079209-A2 DIAZAFLUORENONE IL-8 ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-10-25 WO claimed
WO-2001079209-A2 DIAZAFLUORENONE IL-8 ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-10-25 WO disclosed