SCHEMBL13869734

SCHEMBL13869734

COC(=O)c1ccccc1COc1ccc(CCCOc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.52
MAPT P10636 2/20 0.51
RAB9A P51151 1/20 0.51
PPARG P37231 3/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
SLC6A5 Q9Y345 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK10 P53779 1/20 0.48
FFAR4 Q5NUL3 4/20 0.47

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
SCHEMBL3996108 0.95 FFAR1 (0.53) FFAR1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL3996241 0.94 SLC6A5 (0.50) FFAR1MAPTRAB9APPARGTSHR
SCHEMBL3998062 0.89 FFAR1 (0.52) FFAR1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL3997793 0.89 LTA4H (0.56) FFAR1MAPTTSHRHSD17B10LMNA
SCHEMBL3997390 0.89 PPARG (0.43) FFAR1MAPTPPARGTSHRHSD17B10
SCHEMBL3995121 0.88 SLC6A5 (0.48) FFAR1MAPTRAB9APPARGTSHR
SCHEMBL13869729 0.87 LMNA (0.45) FFAR1MAPTTSHRHSD17B10LMNA
SCHEMBL31123658 0.87 ALDH1A1 (0.60) MAPTRAB9ATSHRHSD17B10LMNA
SCHEMBL9843420 0.86 FFAR1 (0.64) FFAR1FFAR4
SCHEMBL3997587 0.86 FFAR1 (0.50) FFAR1MAPTTSHRHSD17B10LMNA

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
US-7521461-B2 Benzoic acid derivatives as modulators of PPAR alpha and gamma ASTRAZENECA AB (SE) 2009-04-21 US disclosed