SCHEMBL7101059

SCHEMBL7101059

CCCc1ccc(OC(C)OCC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
THRB P10828 1/20 0.39
KMT2A Q03164 2/20 0.38
ACACB O00763 2/20 0.37
ACACA Q13085 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
MAPT P10636 1/20 0.35
FFAR1 O14842 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
POLB P06746 1/20 0.34
AOC3 Q16853 1/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34

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
SCHEMBL7104721 0.86 HTT (0.38) KMT2AACACBMAPTFFAR1POLB
SCHEMBL2772836 0.86 PPARG (0.43) PPARGPPARATHRBKMT2AACACB
SCHEMBL7106151 0.86 PPARG (0.41) PPARGPPARAKMT2AALDH1A1MAPT
SCHEMBL8719660 0.82 PPARG (0.45) PPARGPPARATHRBKMT2AACACB
SCHEMBL7104719 0.80 SLC6A4 (0.35) PPARGPPARAACACBPOLB
SCHEMBL13845287 0.79 PPARG (0.39) PPARGPPARATHRBKMT2AACACB
SCHEMBL27729574 0.78 KMT2A (0.51) THRBKMT2AACACBALDH1A1MAPT
SCHEMBL6655593 0.78 THRB (0.42) PPARGPPARATHRBKMT2AACACB
SCHEMBL13845301 0.78 PPARA (0.47) PPARGPPARAFFAR1
SCHEMBL13845294 0.78 ACACB (0.47) ACACB

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