SCHEMBL9705191

SCHEMBL9705191

CCC(CC)(CCOC(=O)O)CCOC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.36
ALDH1A1 P00352 3/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Ammonia Solution, Strong SCHEMBL2277812 0.93 THRB (0.35) THRB
SCHEMBL9657450 0.82 ALDH1A1 (0.37) THRBALDH1A1CYP4F2CYP4A11HCAR2
Ammonia Solution, Strong SCHEMBL2275970 0.80 ALDH1A1 (0.35) THRBALDH1A1CYP4F2CYP4A11HCAR2
Ammonia Solution, Strong SCHEMBL2277483 0.79 NAAA (0.35) THRBALDH1A1CYP4F2CYP4A11HCAR2
SCHEMBL9495253 0.76 CYP4F2 (0.32) THRBCYP4F2CYP4A11
SCHEMBL16555149 0.76 THRB (0.30) THRB
SCHEMBL15541872 0.76 ALDH1A1 (0.50) THRBALDH1A1
SCHEMBL4452351 0.75 EGFR (0.31)
SCHEMBL1939337 0.75 THRB (0.42) THRBALDH1A1HCAR2
SCHEMBL15899243 0.74 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0492237-A1 Modified polyester resins, process for their preparation and toner containing these polyester resins BAYER AG (DE) 1992-07-01 EP disclosed