SCHEMBL13869729

SCHEMBL13869729

COC(=O)c1ccccc1COc1ccc(CCCOS(C)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PTPN1 P18031 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FFAR1 O14842 5/20 0.41
FFAR4 Q5NUL3 4/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40

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
SCHEMBL3993683 0.93 PTPN1 (0.46) LMNAALDH1A1PTPN1POLBMAPT
SCHEMBL3997390 0.90 PPARG (0.43) LMNAALDH1A1PTPN1POLBMAPT
SCHEMBL13869734 0.87 FFAR1 (0.52) LMNAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL3996241 0.86 SLC6A5 (0.50) LMNAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL3996108 0.85 FFAR1 (0.53) LMNASMN1; SMN2FFAR1FFAR4KDM4E
SCHEMBL3997895 0.84 PPARA (0.49) LMNAALDH1A1PTPN1POLBMAPT
SCHEMBL3997793 0.83 LTA4H (0.56) LMNAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL3997587 0.81 FFAR1 (0.50) LMNAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL3995121 0.80 SLC6A5 (0.48) LMNAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL8588987 0.80 MAOB (0.57) LMNAALDH1A1POLBMAPTSMN1; SMN2

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