Propionic Acid

Propionic Acid

SCHEMBL5077534

CCC(=O)O.CCCCCCCc1ccc2cc(Oc3c(Br)cc(CCC(=O)O)cc3Br)ccc2n1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 15/20 0.52
THRB P10828 15/20 0.52
LTB4R Q15722 1/20 0.45
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL3133738 0.98 THRA (0.54) THRATHRBLTB4RFFAR1AKR1B1
SCHEMBL3141004 0.90 THRA (0.53) THRATHRBFFAR1AKR1B1PPARG
SCHEMBL5077535 0.90 THRA (0.41) THRATHRBLTB4RPPARGPPARD
SCHEMBL3140699 0.87 THRA (0.54) THRATHRBFFAR1AKR1B1
SCHEMBL3137369 0.81 THRA (0.56) THRATHRBFFAR1
SCHEMBL3145813 0.77 THRA (0.52) THRATHRBFFAR1
SCHEMBL3145893 0.77 THRA (0.52) THRATHRB
SCHEMBL3136444 0.75 THRA (0.50) THRATHRB
Propionic Acid SCHEMBL5136420 0.75 THRA (0.52) THRATHRBPPARD
SCHEMBL7821052 0.73 LTB4R (0.51) LTB4RFFAR1CYSLTR2CYSLTR1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 WO disclosed