SCHEMBL5553189

SCHEMBL5553189

CCC(Oc1ccc(Br)cc1C(=O)c1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.59
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.45
PPARA Q07869 2/20 0.44
MAPK1 P28482 1/20 0.43
PTGES O14684 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5555250 0.85 PPARA (0.51) PTGDR2MAPTALDH1A1PPARAHTT
SCHEMBL2885186 0.84 PTGDR2 (0.57) PTGDR2MAPTPOLBALDH1A1PPARA
SCHEMBL2000083 0.83 PTGDR2 (0.67) PTGDR2MAPTHTTHPGDKMT2A
SCHEMBL27971306 0.79 SMN1; SMN2 (0.51) PTGDR2MAPTALDH1A1PPARAMAPK1
SCHEMBL1996701 0.79 PTGDR2 (0.55) PTGDR2MAPT
SCHEMBL4816920 0.78 PPARA (0.59) PTGDR2POLBALDH1A1PPARAHTT
SCHEMBL4812741 0.78 SMN1; SMN2 (0.48) PTGDR2ALDH1A1PPARAHTTSMN1; SMN2
SCHEMBL5550261 0.78 SMN1; SMN2 (0.46) PTGDR2MAPTPPARAMAPK1NPSR1
SCHEMBL21057144 0.77 PPARA (0.50) POLBALDH1A1PPARANPSR1SMN1; SMN2
SCHEMBL21057133 0.77 SMN1; SMN2 (0.47) PTGDR2PPARAHTTSMN1; SMN2HPGD

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-1756039-A4 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2007-05-02 EP disclosed
EP-1756039-A2 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2007-02-28 EP disclosed
WO-2005112633-A2 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2005-12-01 WO disclosed