SCHEMBL5691972

SCHEMBL5691972

O=C(O)Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.74
RXRG P48443 11/20 0.74
RXRB P28702 10/20 0.74
BACE1 P56817 1/20 0.62
SLC13A5 Q86YT5 1/20 0.62
ABCC4 O15439 1/20 0.61
LMNA P02545 1/20 0.61
GAA P10253 1/20 0.61
TSHR P16473 1/20 0.61
PTGS1 P23219 1/20 0.61
HTT P42858 1/20 0.61
S1PR5 Q9H228 1/20 0.59
MAOB P27338 1/20 0.57
PSEN1 P49768 1/20 0.56
PSEN2 P49810 1/20 0.56
APH1B Q8WW43 1/20 0.56
NCSTN Q92542 1/20 0.56
APH1A Q96BI3 1/20 0.56
PSENEN Q9NZ42 1/20 0.56
MME P08473 1/20 0.56

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
SCHEMBL23296145 0.89 RXRA (0.58) RXRARXRGRXRBBACE1SLC13A5
SCHEMBL3836182 0.88 RXRA (0.60) RXRARXRGRXRBBACE1SLC13A5
SCHEMBL8337601 0.85 SLC13A5 (0.67) RXRARXRGRXRBBACE1SLC13A5
SCHEMBL6267349 0.84 PSEN1 (0.64) RXRARXRGRXRBABCC4LMNA
SCHEMBL2272003 0.83 RXRA (0.77) RXRARXRGRXRBABCC4LMNA
SCHEMBL18427881 0.83 ABCC4 (0.80) RXRARXRGRXRBABCC4LMNA
SCHEMBL5692025 0.82 BACE1 (0.60) RXRARXRGRXRBBACE1SLC13A5
Phenylacetic Acid SCHEMBL1807174 0.82 MEN1 (0.66) RXRARXRGRXRBHTTPSEN1
SCHEMBL29935522 0.82 MEN1 (0.65) RXRARXRGRXRBHTTPSEN1
SCHEMBL378581 0.82 MEN1 (0.65) RXRARXRGRXRBHTTPSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1657232-A1 Use of S-enantiomers of alpha-sustituted aryl acetic acids for the prevention of Alzheimer's disease CELLZOME AG (DE) 2006-05-17 EP disclosed
WO-2006048219-A1 USE OF S-ENANTIOMERS OF ALPHA-SUBSTITUTED ARYL ACETIC ACIDS FOR THE PREVENTION OF ALZHEIMER’S DISEASE CELLZOME AG (DE) 2006-05-11 WO disclosed
WO-2006021441-A1 BIPHENYL-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND THEIR USE IN THERAPY CELLZOME AG (DE) 2006-03-02 WO disclosed
WO-2006021441-A1 BIPHENYL-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND THEIR USE IN THERAPY CELLZOME AG (DE) 2006-03-02 WO disclosed