SCHEMBL6880398

SCHEMBL6880398

CCCCCCCCOC(=O)C1C[CH]CC(C(=O)OCCCCCCCC)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
PPARG P37231 3/20 0.43
EPHX1 P07099 1/20 0.43
TSHR P16473 4/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
EPHX2 P34913 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL1297524 0.88 NAAA (0.53) NAAAPPARGEPHX1TSHRALDH1A1
SCHEMBL1297758 0.88 NAAA (0.53) NAAAPPARGEPHX1TSHRALDH1A1
SCHEMBL1297848 0.88 NAAA (0.53) NAAAPPARGEPHX1TSHRALDH1A1
SCHEMBL1297168 0.88 NAAA (0.53) NAAAPPARGEPHX1TSHRALDH1A1
SCHEMBL1297189 0.88 NAAA (0.53) NAAAPPARGEPHX1TSHRALDH1A1
SCHEMBL1298171 0.88 NAAA (0.53) NAAAPPARGEPHX1TSHRALDH1A1
SCHEMBL1297645 0.88 NAAA (0.53) NAAAPPARGEPHX1TSHRALDH1A1
SCHEMBL1298329 0.88 NAAA (0.53) NAAAPPARGEPHX1TSHRALDH1A1
SCHEMBL1297768 0.88 NAAA (0.53) NAAAPPARGEPHX1TSHRALDH1A1
SCHEMBL1298419 0.88 NAAA (0.53) NAAAPPARGEPHX1TSHRALDH1A1

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
US-20040260039-A1 Process for producing organic compound epoxy resin composition, cured article obtained from the epoxy resin, and semiconductor device obtained with epoxy resin MITSUI CHEMICALS, INC. (JP) 2004-12-23 US disclosed
EP-0950649-B1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides MITSUI CHEMICALS INC (JP) 2003-03-26 EP disclosed
US-6130346-A ESTERIFICATION, CARBONATION, SULFONATION, ETHERIFICATION MITSUI CHEMICALS, INC. (JP) 2000-10-10 US disclosed
EP-0950649-A1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides Mitsui Chemicals, Inc. (JP) 1999-10-20 EP disclosed