SCHEMBL27478586

SCHEMBL27478586

C=C(CC(C)C)C(=O)OCCCCCCCCCC.CC(C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.54
▸ NAAA Q02083 1/20 0.42
▸ HCAR2 Q8TDS4 2/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ FAAH O00519 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ACHE P22303 3/20 0.36
▸ ACE2 Q9BYF1 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
Methacrylic Acid SCHEMBL28321602 0.90 TSHR (0.61) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL7087957 0.87 TSHR (0.50) TSHRNAAAHCAR2RAD52NPSR1
Acrylic Acid SCHEMBL21195112 0.82 TSHR (0.49) TSHRNAAAHCAR2NPSR1ALDH1A1
SCHEMBL3921103 0.80 TSHR (0.56) TSHRNAAAHCAR2RAD52NPSR1
Isobutane SCHEMBL28165880 0.79 TSHR (0.62) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL27626337 0.78 TSHR (0.57) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL20549639 0.78 TSHR (0.57) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL10009192 0.77 TSHR (0.55) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL1069127 0.77 TSHR (0.65) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL29096240 0.77 TSHR (0.65) TSHRNAAAHCAR2RAD52NPSR1

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
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
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
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