SCHEMBL7183398

SCHEMBL7183398

CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)O)cc1.[NaH]

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.74
PRTN3 P24158 6/20 0.51

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
SCHEMBL6337153 0.98 ELANE (0.77) ELANEPRTN3
SCHEMBL29050845 0.86 ELANE (0.59) ELANEPRTN3
SCHEMBL10483727 0.85 ELANE (1.00) ELANEPRTN3
SCHEMBL22369614 0.82 ELANE (0.86) ELANEPRTN3
SCHEMBL7219090 0.82 ELANE (0.74) ELANEPRTN3
SCHEMBL7183393 0.82 ELANE (0.74) ELANEPRTN3
SCHEMBL31531294 0.82 ELANE (0.74) ELANEPRTN3
SCHEMBL2740677 0.81 ELANE (0.54) ELANEPRTN3
SCHEMBL10483766 0.81 ELANE (1.00) ELANEPRTN3
SCHEMBL14155779 0.80 ELANE (0.51) ELANEPRTN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1083167-B1 Process for the preparation of aryl carboxylate esters EASTMAN CHEM CO (US) 2003-04-16 EP disclosed
US-6448430-B1 BY REACTION OF A PHENOL WITH A CARBOXYLIC ACID IN THE PRESENCE OF TRIFLUOROACETIC ACID (TFA) AND TRIFLUOROACETIC ANHYDRIDE (TFAA); RELATIVELY LOW TEMPERATURE EASTMAN CHEMICAL COMPANY 2002-09-10 US disclosed
EP-1083167-A1 Process for the preparation of aryl carboxylate esters EASTMAN CHEMICAL COMPANY (US) 2001-03-14 EP disclosed