SCHEMBL8619804

SCHEMBL8619804

CC(C)Oc1ccc(CCC(=O)O)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.55
POLB P06746 1/20 0.55
FFAR4 Q5NUL3 10/20 0.51
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.46
PTGDR Q13258 1/20 0.46

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
SCHEMBL2723938 0.84 POLB (0.77) FFAR1POLBFFAR4
SCHEMBL12187714 0.82 ALDH1A1 (0.44) FFAR1POLBFFAR4ALDH1A1
SCHEMBL6576008 0.80 POLB (0.47) FFAR1POLBFFAR4PPARGKDM4E
SCHEMBL13258015 0.78 ALDH1A1 (0.41) FFAR1POLBFFAR4ALDH1A1
SCHEMBL20766785 0.78 POLB (0.45) POLBFFAR4ALDH1A1
SCHEMBL30523689 0.78 POLB (0.45) POLBFFAR4ALDH1A1
SCHEMBL18528800 0.78 FFAR4 (0.54) FFAR1POLBFFAR4
SCHEMBL16207513 0.77 FFAR1 (0.65) FFAR1POLBFFAR4
SCHEMBL1206782 0.77 KDM4E (0.75) FFAR1POLBFFAR4KDM4E
SCHEMBL30637597 0.76 FFAR1 (0.59) FFAR1POLBFFAR4

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-1998057910-A2 CYCLOOXYGENASE-I SELECTIVE INHIBITORS AND THE USE THEREOF AS ANALGESIC, ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS LABORATORIOS MENARINI S.A. (ES) 1998-12-23 WO disclosed