SCHEMBL7708218

SCHEMBL7708218

CC(C)(C)C(=O)OCOc1ccc([I+]c2ccc(OCOC(=O)C(C)(C)C)cc2)cc1.O=S(=O)([O-])C(F)(F)C(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.33
ALDH1A1 P00352 1/20 0.32
PTPRZ1 P23471 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCD Q05655 1/20 0.32

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
SCHEMBL7708731 0.78 ALDH1A1 (0.35) ALDH1A1
SCHEMBL7705618 0.73 ALDH1A1 (0.38) ALDH1A1
Toliodium SCHEMBL7708774 0.73 AGER (0.36) ALDH1A1
SCHEMBL13120267 0.71 PSEN1 (0.40) ELANEALDH1A1
SCHEMBL7708128 0.70 GPR3 (0.34)
SCHEMBL7708628 0.69 HSD11B1 (0.38) ALDH1A1
SCHEMBL15426513 0.69 PRKCA (0.47) ELANEALDH1A1PRKCAPRKCD
SCHEMBL7708455 0.69 GPR3 (0.35) ALDH1A1
SCHEMBL7708214 0.67 PSEN1 (0.44) ALDH1A1
SCHEMBL8216690 0.67 ALDH1A1 (0.44) ALDH1A1

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