SCHEMBL7758053

SCHEMBL7758053

CCCCCCCCCCCCOC(=O)C(=O)OC(C)(C)CC(C)OOC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
NAAA Q02083 3/20 0.37
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX1 P07099 1/20 0.36
HCAR2 Q8TDS4 1/20 0.33
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTR2C P28335 1/20 0.32
ACHE P22303 4/20 0.32

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
SCHEMBL7755949 0.95 ALDH1A1 (0.35) TSHRNPSR1HCAR2ALDH1A1
SCHEMBL11423951 0.82 ALDH1A1 (0.36) TSHRNAAANPSR1HCAR2ALDH1A1
SCHEMBL7553024 0.77 TSHR (0.53) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL10777181 0.76 TSHR (0.56) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL21202163 0.76 TSHR (0.56) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL7792571 0.74 TSHR (0.53) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL7782921 0.72 TSHR (0.39) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL7790604 0.71
SCHEMBL8328054 0.71 TSHR (0.44) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL9091884 0.71 TSHR (0.50) TSHRNAAARAD52NPSR1EPHX1

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-0850927-B1 Novel oxalic acid peroxide compositions and their uses ATOFINA CHEM INC (US) 2001-03-14 EP disclosed
US-5866712-A POLYMERIZATION AND CURING CATALYSTS ELF ATOCHEM NORTH AMERICA, INC. (US) 1999-02-02 US disclosed
EP-0850927-A1 Novel oxalic acid peroxide compositions and uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed