SCHEMBL2126891

SCHEMBL2126891

CC(=O)OC1CC2CCC1(C)C2(C)C.CC1(C)C2CCC1(C)C(OC=O)C2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
ELANE P08246 2/20 0.48
MEN1 O00255 1/20 0.47
CYP19A1 P11511 2/20 0.46

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
SCHEMBL17035684 0.89 MAPT (0.58) MAPTMAPK1KMT2ACYP2C19ALDH1A1
SCHEMBL1863853 0.89 MAPT (0.58) MAPTMAPK1KMT2ACYP2C19ALDH1A1
SCHEMBL1133020 0.89 MAPT (0.58) MAPTMAPK1KMT2ACYP2C19ALDH1A1
SCHEMBL117760 0.89 MAPT (0.58) MAPTMAPK1KMT2ACYP2C19ALDH1A1
SCHEMBL17336921 0.89 MAPT (0.58) MAPTMAPK1KMT2ACYP2C19ALDH1A1
SCHEMBL23365822 0.89 MAPT (0.58) MAPTMAPK1KMT2ACYP2C19ALDH1A1
SCHEMBL12980679 0.89 MAPT (0.58) MAPTMAPK1KMT2ACYP2C19ALDH1A1
SCHEMBL17627766 0.89 MAPT (0.58) MAPTMAPK1KMT2ACYP2C19ALDH1A1
SCHEMBL20912969 0.89 MAPT (0.58) MAPTMAPK1KMT2ACYP2C19ALDH1A1
SCHEMBL117759 0.89 MAPT (0.58) MAPTMAPK1KMT2ACYP2C19ALDH1A1

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-2444846-B1 Method for rebalancing a multicomponent solvent solution DU PONT (US) 2015-04-22 EP disclosed
US-8349185-B2 Method for rebalancing a multicomponent solvent solution E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-08 US disclosed
US-20120100489-A1 METHOD FOR REBALANCING A MULTICOMPONENT SOLVENT SOLUTION E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-26 US disclosed
EP-2444846-A2 Method for rebalancing a multicomponent solvent solution E. I. du Pont de Nemours and Company (US) 2012-04-25 EP disclosed