SCHEMBL7122437

SCHEMBL7122437

CCCCCCCOC(=O)OOC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
HCAR2 Q8TDS4 2/20 0.47
EPHX1 P07099 1/20 0.47
TSHR P16473 3/20 0.46
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.42
FAAH O00519 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ACHE P22303 6/20 0.42
DGKA P23743 1/20 0.41

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
SCHEMBL1068454 1.00 NAAA (0.50) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL10896710 1.00 NAAA (0.50) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL8040188 0.92 ATM (0.50) NAAAHCAR2EPHX1TSHRNPSR1
SCHEMBL847228 0.92 NAAA (0.38) NAAAHCAR2EPHX1TSHRATM
SCHEMBL11063862 0.92 NAAA (0.38) NAAAHCAR2EPHX1TSHRATM
SCHEMBL11710524 0.89 NAAA (0.47) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL8416800 0.89 NAAA (0.47) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL1421042 0.89 NAAA (0.47) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL1630028 0.87 NAAA (0.44) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL80849 0.86 NAAA (0.47) NAAAHCAR2EPHX1TSHRRAD52

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
EP-0879224-B1 NOVEL POLY(MONOPEROXYCARBONATES) ATOFINA CHEM INC (US) 2003-10-22 EP disclosed
EP-0879224-A4 NOVEL POLY(MONOPEROXYCARBONATES) ATOCHEM NORTH AMERICA ELF (US) 1999-05-26 EP disclosed
EP-0879224-A1 NOVEL POLY(MONOPEROXYCARBONATES) ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-11-25 EP disclosed
WO-1998007684-A1 NOVEL POLY(MONOPEROXYCARBONATES) ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-02-26 WO disclosed