SCHEMBL7217364

SCHEMBL7217364

CC(CCOC(=O)C(C)C(C)C)CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.38
ALOX15 P16050 1/20 0.35
MMP8 P22894 1/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 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
SCHEMBL3289278 0.85 EGFR (0.41) EGFRALOX15CHRNB2CHRNA4CHRNB4
SCHEMBL9087682 0.82 EGFR (0.40) EGFRALOX15MMP8CHRNB2CHRNA4
SCHEMBL7217001 0.81 CA2 (0.39) EGFRALOX15MMP8CHRNB2CHRNA4
SCHEMBL5932536 0.81 EGFR (0.39) EGFRALOX15CHRNB2CHRNA4CHRNB4
SCHEMBL5933627 0.81 EGFR (0.39) EGFRALOX15CHRNB2CHRNA4CHRNB4
SCHEMBL5932523 0.81 EGFR (0.39) EGFRALOX15CHRNB2CHRNA4CHRNB4
SCHEMBL113147 0.81 ALOX15 (0.53) EGFRALOX15CHRNB2CHRNA4CHRNB4
SCHEMBL7223660 0.80 EGFR (0.37) EGFRALOX15MMP8CHRNB2CHRNA4
SCHEMBL5836238 0.79 EGFR (0.38) EGFRALOX15CHRNB2CHRNA4CHRNB4
SCHEMBL5933631 0.79 EGFR (0.38) EGFRALOX15CHRNB2CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1190477-C Lubrication oil for refrigerator, hydraulic fluid compoistion for refrigerator and method for lubrication of refrigerator NEW JAPAN CHEMICALS CO LTD (JP) 2005-02-23 CN disclosed
US-6667285-B1 Branched-chain carboxylic acid monoalkyl ester with outstanding hydrolytic stability NEW JAPAN CHEMICAL CO., LTD. (JP) 2003-12-23 US disclosed
EP-1225213-A1 LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-24 EP disclosed
CN-1349555-A Lubrication oil for refrigerator, hydraulic fluid compoistion for refrigerator and method for lubrication of refrigerator NEW JAPAN CHEMICALS CO LTD (JP) 2002-05-15 CN disclosed