SCHEMBL6880728

SCHEMBL6880728

CCOC(=O)C1C[CH]CC(C(=O)OCC)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
POLB P06746 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
SCHEMBL2534205 0.91
SCHEMBL1298246 0.84 MAPT (0.50) ALDH1A1KMT2AMEN1MAPTCYP3A4
SCHEMBL6736374 0.84 MAPT (0.50) ALDH1A1KMT2AMEN1MAPTCYP3A4
SCHEMBL2539787 0.82 MAPT (0.46) ALDH1A1KMT2AMEN1MAPT
SCHEMBL1169394 0.80 MAPT (0.52) ALDH1A1KMT2AMEN1MAPTCYP3A4
SCHEMBL2586974 0.78 MAPT (0.46) ALDH1A1KMT2AMEN1MAPT
SCHEMBL27630053 0.78 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPT
SCHEMBL6880398 0.78 NAAA (0.46) ALDH1A1MAPTCYP3A4
SCHEMBL17871025 0.77 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTCYP2C19
SCHEMBL11473193 0.77 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTCYP2C19

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