SCHEMBL7810593

SCHEMBL7810593

O=C(O)Oc1ccc2c(c1)C1(c3cc(OC(=O)O)ccc3-c3c(OC(=O)O)cc(OC(=O)O)cc31)c1cc(OC(=O)O)cc(OC(=O)O)c1-2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ELANE P08246 3/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
PDK2 Q15119 1/20 0.31
PTPN1 P18031 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
SCHEMBL6859729 0.84 PDK2 (0.39) KDM4EMAPTMAPK1PDK2
SCHEMBL6854556 0.76 PDK2 (0.47) MAPTPDK2
SCHEMBL6854806 0.76 PDK2 (0.47) MAPTPDK2
SCHEMBL6854533 0.76 PDK2 (0.47) MAPTPDK2
SCHEMBL8722118 0.76 KDM4E (0.47) KDM4EELANEMAPTMAPK1PTPN1
SCHEMBL5678543 0.71 KDM4E (0.46) KDM4EELANEMAPTMAPK1
SCHEMBL686585 0.70 KDM4E (0.48) KDM4EELANEMAPTMAPK1
SCHEMBL16585654 0.69 BACE1 (0.47) KDM4EELANEMAPTMAPK1PTPN1
SCHEMBL7551541 0.68 KDM4E (0.46) KDM4EELANEMAPTMAPK1
SCHEMBL3628405 0.67 KDM4E (0.42) KDM4EELANEMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968175-B1 SPIRO COMPOUNDS AND THE USE THEREOF CELANESE VENTURES GMBH (DE) 2001-12-12 EP disclosed