SCHEMBL7106521

SCHEMBL7106521

CCC(C)Cc1ccc(OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.54
KDM1A O60341 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ACACB O00763 7/20 0.40
PTGS2 P35354 1/20 0.37
LDHA P00338 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL6273093 0.86 ELANE (0.58) ELANEKDM1AACACBPTGS2
SCHEMBL16173542 0.82 ELANE (0.54) ELANEKDM1APPARGPPARAACACB
SCHEMBL1788209 0.81 ELANE (0.64) ELANEKDM1APPARGPPARA
SCHEMBL197026 0.81 ELANE (0.55) ELANEKDM1APPARGPPARAACACB
SCHEMBL10847599 0.81 ACACB (0.42) PPARGPPARAACACBLDHA
SCHEMBL18165415 0.80 ELANE (0.51) ELANEKDM1APPARGPPARAACACB
SCHEMBL196293 0.79 ELANE (0.66) ELANEKDM1APPARGPPARA
SCHEMBL111624 0.79 ELANE (0.57) ELANEKDM1A
SCHEMBL9880584 0.79 ELANE (0.57) ELANEKDM1A
SCHEMBL4061370 0.79 ELANE (0.81) ELANEKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1113005-B1 Sulfonium salt compounds WAKO PURE CHEM IND LTD (JP) 2003-08-06 EP disclosed
EP-1238969-A2 Sulfonium salt compounds Wako Pure Chemical Industries, Ltd. (JP) 2002-09-11 EP disclosed
EP-1113005-A1 Sulfonium salt compounds Wako Pure Chemical Industries, Ltd. (JP) 2001-07-04 EP disclosed