SCHEMBL8553347

SCHEMBL8553347

O=Cc1ccccc1CCC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
LMNA P02545 2/20 0.43
HCAR2 Q8TDS4 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
SRC P12931 1/20 0.42
CASP1 P29466 1/20 0.41
NOTUM Q6P988 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
SCHEMBL6801271 0.85 ALDH1A1 (0.62) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL3174502 0.82 CYP4F2 (0.65) ALDH1A1TDP1CYP4F2CYP4A11LMNA
SCHEMBL28662041 0.80 TDP1 (0.54) ALDH1A1MAPK1L3MBTL1TDP1CYP4F2
SCHEMBL304176 0.79 TDP1 (0.78) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL24405114 0.79 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1CYP4F2
SCHEMBL306178 0.79 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1CYP4F2
SCHEMBL24405103 0.79 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1CYP4F2
SCHEMBL27957232 0.79 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1CYP4F2
SCHEMBL6517024 0.78 TSHR (0.46) ALDH1A1TDP1CYP4F2CYP4A11LMNA
SCHEMBL2563233 0.77 KEAP1 (0.50) MAPK1TDP1LMNASLC6A3KMT2A

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
EP-0854863-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed
WO-1997003951-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 WO disclosed