SCHEMBL6974420

SCHEMBL6974420

CC(C)(C)C(=O)Oc1ccccc1COC(=O)Cl

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 18/20 0.51
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL28520757 0.83 ALDH1A1 (0.49) ALDH1A1LMNAMAPT
SCHEMBL7688645 0.81 ELANE (0.54) ELANELMNAMAPTNPSR1
SCHEMBL3150572 0.81 ELANE (0.57) ELANELMNAMAPTNPSR1
SCHEMBL15867625 0.80 ELANE (0.61) ELANELMNAMAPTNPSR1
SCHEMBL11419918 0.79 ELANE (0.59) ELANELMNAMAPTNPSR1
SCHEMBL7815596 0.79 IDO1 (0.55) ALDH1A1MAPTNPSR1
SCHEMBL20512118 0.78 ELANE (0.54) ELANELMNAMAPTNPSR1
SCHEMBL14639250 0.78 ELANE (0.50) ELANELMNAMAPTNPSR1
SCHEMBL16940033 0.78 ELANE (0.57) ELANELMNAMAPTNPSR1
SCHEMBL23393760 0.76 ELANE (0.56) ELANENPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324997-A2 DIOXOLANE ANALOGS FOR IMPROVED INTER-CELLULAR DELIVERY Shire Biochem Inc. (CA) 2003-07-09 EP disclosed
WO-2002030922-A2 DIOXOLANE ANALOGS FOR IMPROVED INTER-CELLULAR DELIVERY SHIRE BIOCHEM INC. (CA) 2002-04-18 WO disclosed