SCHEMBL9849072

SCHEMBL9849072

Cc1c(CCC(=O)O)c2c(c(C)c1OCc1ccccc1)CCC(C)(C)O2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.43
PTGER3 P43115 3/20 0.43
PTGER2 P43116 3/20 0.43
PTGER1 P34995 2/20 0.43
THRA P10827 4/20 0.42
THRB P10828 4/20 0.42
FFAR4 Q5NUL3 2/20 0.41
FFAR1 O14842 2/20 0.40
RXRA P19793 3/20 0.39
RXRB P28702 3/20 0.39
RXRG P48443 3/20 0.39
PSEN1 P49768 4/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9028981 0.85 PSEN1 (0.34) PSEN1
SCHEMBL5957804 0.83 PSEN1 (0.40) PTGER1PSEN1
SCHEMBL8308667 0.82 PSEN1 (0.45) PSEN1
SCHEMBL9028284 0.81 MAOB (0.34) PSEN1ALDH1A1
SCHEMBL9027411 0.79
SCHEMBL9027417 0.79
SCHEMBL9029391 0.79 PPARG (0.34) FFAR1PSEN1
SCHEMBL9028233 0.78 LMNA (0.36) PSEN1
SCHEMBL9028462 0.78 LTA4H (0.40) PTGER4PTGER3PTGER2PTGER1PSEN1
SCHEMBL7796530 0.77 PSEN1 (0.41) PSEN1

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-0445827-A2 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO INC. (JP) 1991-09-11 EP disclosed