SCHEMBL12812630

SCHEMBL12812630

O=C(O)C(CCc1ccccc1)Cc1ccccc1CCOc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.55
▸ PTGES O14684 4/20 0.55
▸ ALOX5 P09917 4/20 0.55
▸ PPARA Q07869 4/20 0.48
▸ FFAR1 O14842 3/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.45
▸ LTA4H P09960 1/20 0.44
▸ PPARD Q03181 2/20 0.44
▸ GPR34 Q9UPC5 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL13418347 0.79 PPARG (0.54) PPARGPTGESALOX5PPARAFFAR1
SCHEMBL10420797 0.78 CTNNB1 (0.44) PPARGPTGESALOX5PPARAFFAR1
SCHEMBL5727650 0.77 FFAR1 (0.52) PPARGPTGESALOX5PPARAFFAR1
SCHEMBL28860722 0.75 FFAR1 (0.64) PPARGPPARAFFAR1FFAR4LTA4H
SCHEMBL28224291 0.75 FFAR1 (0.64) PPARGPPARAFFAR1FFAR4LTA4H
SCHEMBL1862136 0.74 LTA4H (0.50) PPARGPTGESALOX5PPARAFFAR1
SCHEMBL15079872 0.74 NPC1 (0.69) FFAR1LTA4H
SCHEMBL1859177 0.73 CYP1A2 (0.73) —
SCHEMBL8041180 0.72 PPARG (0.61) PPARGPTGESALOX5PPARAFFAR1
SCHEMBL12494431 0.72 CYP1A2 (0.66) PPARGPPARA

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-1742927-B1 BUTANOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THREREOF MERCK PATENT GMBH (DE) 2011-03-30 — — EP disclosed
Send feedback