SCHEMBL7219082

SCHEMBL7219082

CCCC(C)C(=O)OCCCCCCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.41
EPHX1 P07099 1/20 0.39
ACHE P22303 6/20 0.38
TSHR P16473 2/20 0.38
ACE2 Q9BYF1 1/20 0.38
CA1 P00915 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37
RARB P10826 1/20 0.36

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
SCHEMBL7223410 1.00 NAAA (0.41) NAAAEPHX1ACHETSHRACE2
SCHEMBL7217056 1.00 NAAA (0.41) NAAAEPHX1ACHETSHRACE2
SCHEMBL7217119 0.98 CA1 (0.38) NAAAEPHX1ACHETSHRACE2
SCHEMBL14457774 0.92 NAAA (0.47) NAAAEPHX1ACHETSHRALDH1A1
SCHEMBL7219243 0.91 CA1 (0.44) NAAAEPHX1ACHETSHRACE2
SCHEMBL7224913 0.91 CA1 (0.48) NAAAEPHX1TSHRACE2CA1
SCHEMBL7224841 0.91 CA1 (0.48) NAAAEPHX1TSHRACE2CA1
SCHEMBL7224922 0.91 CA1 (0.48) NAAAEPHX1TSHRACE2CA1
SCHEMBL7219305 0.91 CA1 (0.48) NAAAEPHX1TSHRACE2CA1
SCHEMBL7223967 0.91 CA1 (0.44) NAAAEPHX1ACHETSHRACE2

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-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