SCHEMBL8092040

SCHEMBL8092040

CCCCCCCCCCCCCCCCCCCCOC[C](C)O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.65
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
USP2 O75604 1/20 0.45
CES1 P23141 1/20 0.44
PLA2G4B P0C869 2/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PLA2G2C Q5R387 1/20 0.41
LPAR3 Q9UBY5 3/20 0.40
LPAR1 Q92633 2/20 0.40
LPAR2 Q9HBW0 2/20 0.40
SPHK1 Q9NYA1 1/20 0.40
NAAA Q02083 1/20 0.40

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
SCHEMBL7455105 1.00 CES2 (0.65) CES2HTTMEN1THRBKMT2A
SCHEMBL8469575 1.00 CES2 (0.65) CES2HTTMEN1THRBKMT2A
SCHEMBL28006681 0.90
SCHEMBL28752539 0.84 CES2 (0.63) CES2HTTMEN1THRBKMT2A
SCHEMBL2766744 0.83 CES2 (0.68) CES2HTTMEN1THRBKMT2A
SCHEMBL8466858 0.83 CES2 (0.68) CES2HTTMEN1THRBKMT2A
SCHEMBL11487597 0.81 CES2 (0.59) CES2HTTMEN1THRBKMT2A
SCHEMBL7568143 0.81 CES2 (0.59) CES2HTTMEN1THRBKMT2A
SCHEMBL96284 0.80 CES2 (0.64) CES2HTTMEN1THRBKMT2A
SCHEMBL25424773 0.79 CES2 (0.63) CES2HTTMEN1THRBKMT2A

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-0901513-A4 SUGAR SURFACTANTS COMBINED WITH SPECIFIC POLYQUATERNIUM COMPONENT HENKEL CORP (US) 2000-11-15 EP disclosed
EP-0901513-A1 SUGAR SURFACTANTS COMBINED WITH SPECIFIC POLYQUATERNIUM COMPONENT HENKEL CORPORATION (US) 1999-03-17 EP disclosed
WO-1997042281-A1 SUGAR SURFACTANTS COMBINED WITH SPECIFIC POLYQUATERNIUM COMPONENT HENKEL CORPORATION (US) 1997-11-13 WO disclosed