SCHEMBL19350102

SCHEMBL19350102

CC(=O)Oc1ccccc(OC(C)=O)c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.61
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 2/20 0.61
BLM P54132 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
HSD17B10 Q99714 2/20 0.61
ESR1 P03372 1/20 0.61
ITGB3 P05106 1/20 0.61
ITGA2B P08514 1/20 0.61
HMGB1 P09429 1/20 0.61
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.61
GGT1 P19440 1/20 0.61
PTGS1 P23219 1/20 0.61
NAPRT Q6XQN6 1/20 0.61
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
APEX1 P27695 1/20 0.54
RECQL P46063 1/20 0.54

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
SCHEMBL29432883 0.87 PTGS2 (0.68) PTGS2KDM4EALDH1A1BLMTDP1
SCHEMBL338196 0.87 PTGS2 (0.68) PTGS2KDM4EALDH1A1BLMTDP1
Iodide SCHEMBL30619798 0.85 PTGS2 (0.65) PTGS2KDM4EALDH1A1BLMTDP1
Ethylene SCHEMBL28225928 0.83 PTGS2 (0.63) PTGS2KDM4EALDH1A1BLMTDP1
SCHEMBL29350633 0.83 MAPK1 (0.62) PTGS2KDM4EALDH1A1BLMTDP1
SCHEMBL10387591 0.82 PTGS2 (0.62) PTGS2KDM4EALDH1A1BLMTDP1
SCHEMBL8676653 0.81 PTGS2 (0.61) PTGS2KDM4EALDH1A1BLMTDP1
SCHEMBL10496464 0.81 PTGS2 (0.61) PTGS2KDM4EALDH1A1BLMTDP1
SCHEMBL236191 0.79 CA12 (0.59) PTGS2KDM4EALDH1A1BLMTDP1
SCHEMBL361220 0.79 PTGS2 (0.59) PTGS2KDM4EALDH1A1BLMTDP1

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
WO-2017156194-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-09-14 WO disclosed