SCHEMBL7705585

SCHEMBL7705585

CC(C)(C)OC(=O)Oc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.60
KDM1A O60341 1/20 0.45
CA2 P00918 2/20 0.39
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KIF11 P52732 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GPR119 Q8TDV5 2/20 0.34
NR1H2 P55055 1/20 0.34
MAPKAPK2 P49137 2/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL486023 0.90 ELANE (0.62) ELANEKDM1ACA2MEN1KMT2A
SCHEMBL4059798 0.89 ELANE (0.72) ELANEKDM1ACA2HSD17B10MEN1
SCHEMBL919670 0.84 ELANE (0.66) ELANEKDM1ACA2HSD17B10MEN1
SCHEMBL978959 0.84 ELANE (0.66) ELANEKDM1ACA2HSD17B10MEN1
SCHEMBL4061370 0.84 ELANE (0.81) ELANEKDM1ACA2MEN1KMT2A
SCHEMBL4060624 0.83 ELANE (0.64) ELANEKDM1ACA2HSD17B10MEN1
SCHEMBL14878467 0.81 ELANE (0.62) ELANEKDM1ACA2HSD17B10MEN1
SCHEMBL12240209 0.81 ELANE (0.62) ELANEKDM1ACA2HSD17B10MEN1
SCHEMBL3985477 0.81 ELANE (0.62) ELANEKDM1ACA2HSD17B10MEN1
SCHEMBL13616226 0.79 ELANE (0.58) ELANEKDM1ACA2MEN1KMT2A

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