SCHEMBL13625923

SCHEMBL13625923

CCCCCCCOCOCC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
CES2 O00748 2/20 0.46
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 2/20 0.42
CES1 P23141 1/20 0.42
LPAR5 Q9H1C0 1/20 0.40
LPAR1 Q92633 4/20 0.39
LPAR3 Q9UBY5 4/20 0.39
SPHK1 Q9NYA1 1/20 0.38
LPAR2 Q9HBW0 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
SCHEMBL27951244 1.00 THRB (0.50) THRBHTTMEN1KMT2AMAPT
SCHEMBL27938501 1.00 THRB (0.50) THRBHTTMEN1KMT2AMAPT
SCHEMBL27938265 1.00 THRB (0.50) THRBHTTMEN1KMT2AMAPT
SCHEMBL114229 0.97 HTT (0.46) THRBHTTMEN1KMT2AMAPT
SCHEMBL23567250 0.92 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL15437179 0.92 HTT (0.39) THRBHTTMEN1KMT2AMAPT
SCHEMBL15437183 0.92 HTT (0.39) THRBHTTMEN1KMT2AMAPT
SCHEMBL23567212 0.92 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL15842210 0.92 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL15437258 0.92 HTT (0.39) THRBHTTMEN1KMT2AMAPT

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-3173456-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT Mitsubishi Chemical Corporation (JP) 2017-05-31 EP disclosed
EP-2117062-B1 COMPOSITION FOR ORGANIC DEVICE, POLYMER MEMBRANE AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEM CORP (JP) 2017-01-18 EP disclosed
EP-2117062-A1 COMPOSITION FOR ORGANIC DEVICE, POLYMER MEMBRANE AND ORGANIC ELECTROLUMINESCENT DEVICE Mitsubishi Chemical Corporation (JP) 2009-11-11 EP disclosed