SCHEMBL16690276

SCHEMBL16690276

O=C(CO)C[C@H](O)CCO

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
GABRR1 P24046 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
LMNA P02545 1/20 0.33
GPR84 Q9NQS5 4/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL18782546 1.00 THRB (0.46) THRBGABRR1SLC22A6LMNAGPR84
SCHEMBL27768581 0.85 THRB (0.42) THRBGABRR1SLC22A6LMNA
SCHEMBL17063554 0.83 THRB (0.40) THRBGPR84TRPA1
SCHEMBL28612466 0.79
SCHEMBL5222531 0.78 THRB (0.40) THRBGPR84
SCHEMBL16468096 0.78 THRB (0.40) THRBGPR84
SCHEMBL9333811 0.78
SCHEMBL9333825 0.78
SCHEMBL12871589 0.78
SCHEMBL391722 0.77 THRB (0.39) THRBGPR84

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
WO-2015065722-A1 PROCESS TO PRODUCE TEREPHTHALIC ACID EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-05-07 WO disclosed