SCHEMBL7106522

SCHEMBL7106522

CC(C)CCc1ccc(OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.55
KDM1A O60341 1/20 0.42
PTGS2 P35354 1/20 0.41
ACACB O00763 4/20 0.40
THRB P10828 1/20 0.39
PPARA Q07869 1/20 0.38
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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 0.84 ELANE (0.58) ELANEKDM1APTGS2ACACB
SCHEMBL30520595 0.83 ELANE (0.60) ELANEKDM1APTGS2THRBPPARA
SCHEMBL5702014 0.83 ELANE (0.60) ELANEKDM1AACACBTHRBPPARA
SCHEMBL196293 0.80 ELANE (0.66) ELANEKDM1APPARA
SCHEMBL15697785 0.80 PPARA (0.57) ELANEKDM1APTGS2THRBPPARA
SCHEMBL29059895 0.80 ELANE (0.57) ELANEKDM1ATHRBPPARAFFAR1
SCHEMBL29562370 0.80 ELANE (0.57) ELANEFFAR1
SCHEMBL4061370 0.80 ELANE (0.81) ELANEKDM1A
SCHEMBL1788209 0.79 ELANE (0.64) ELANEKDM1ATHRBPPARAALDH1A1
SCHEMBL6274586 0.79 ELANE (0.64) ELANEKDM1ATHRBPPARA

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