SCHEMBL7708554

SCHEMBL7708554

COc1cc[c]c(-c2ccc(OC(=O)OC(C)(C)C)cc2)c1-c1ccc(OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.47
KDM1A O60341 1/20 0.37
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CTSL P07711 1/20 0.32
CA2 P00918 1/20 0.32
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
BACE1 P56817 1/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL7708104 0.90 ELANE (0.47) ELANEKDM1ACA2
SCHEMBL7711588 0.84 ELANE (0.48) ELANEKDM1ACA2
SCHEMBL7708629 0.82 CA1 (0.44) ELANEMAPTCA2GPR119
SCHEMBL7707636 0.80 ABCB1 (0.32)
SCHEMBL7708791 0.75 ELANE (0.50) ELANEKDM1AMAPTCA2MTNR1A
SCHEMBL7708620 0.74 PTGS2 (0.34) MAPTCA2BACE1
SCHEMBL4059798 0.74 ELANE (0.72) ELANEKDM1ACA2
SCHEMBL7705593 0.74 TDO2 (0.35) MAPTNPSR1
SCHEMBL7702832 0.73 MGAM (0.46) BACE1
SCHEMBL4061370 0.72 ELANE (0.81) ELANEKDM1AMAPTCA2

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
US-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed