SCHEMBL15066530

SCHEMBL15066530

C=C(C(=O)OCCCCCCCCCCCCCCCCCC)C(C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
NAAA Q02083 1/20 0.46
HCAR2 Q8TDS4 2/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX1 P07099 1/20 0.43
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ACHE P22303 3/20 0.39
ACE2 Q9BYF1 1/20 0.39

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
SCHEMBL28002132 0.85 TSHR (0.57) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL27646716 0.84 TSHR (0.65) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL1069127 0.84 TSHR (0.65) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL27646544 0.84 TSHR (0.65) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL27626357 0.84 TSHR (0.65) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL29096240 0.84 TSHR (0.65) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL29177464 0.84 TSHR (0.65) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL13266339 0.84 TSHR (0.65) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL28717268 0.83 TSHR (0.62) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL15156605 0.82 TSHR (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140377562-A1 NATURAL NANOREINFORCEMENT THAT COMPRISES A LAMINAR SILICATE FROM VOLCANIC SOURCES USEFUL TO MANUFACTURE POLYMERIC NANOCOMPOSITES AND MANUFACTURE PROCESS THEREOF UNIV CHILE (CL) 2014-12-25 US disclosed
EP-2797999-A2 NATURAL NANOREINFORCEMENT THAT COMPRISES A LAMINAR SILICATE FROM VOLCANIC SOURCES USEFUL TO MANUFACTURE POLYMERIC NANOCOMPOSITES AND MANUFACTURE PROCESS THEREOF Universidad De Chile (CL) 2014-11-05 EP disclosed
WO-2013098671-A2 NATURAL NANOREINFORCEMENT THAT COMPRISES A LAMINAR SILICATE FROM VOLCANIC SOURCES USEFUL TO MANUFACTURE POLYMERIC NANOCOMPOSITES AND MANUFACTURE PROCESS THEREOF UNIVERSIDAD DE CHILE (CL) 2013-07-04 WO disclosed