SCHEMBL28048536

SCHEMBL28048536

CC(=O)c1ccc2oc(C(=O)O)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 9/20 0.60
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
KDM4E B2RXH2 2/20 0.56
GLA P06280 2/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
CASP1 P29466 1/20 0.56
BRCA1 P38398 1/20 0.56
CASP7 P55210 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PIM2 Q9P1W9 4/20 0.55
CSNK2A1 P68400 3/20 0.51
CSNK2A2 P19784 2/20 0.51
CSNK2B P67870 2/20 0.51
CSNK2A3 Q8NEV1 2/20 0.51
CLK1 P49759 1/20 0.49
DYRK1A Q13627 1/20 0.49

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
SCHEMBL15623111 0.89 ALDH1A1 (0.69) PIM1LMNATP53KDM4EGLA
SCHEMBL7410565 0.87 PIM1 (0.66) PIM1LMNATP53KDM4EGLA
SCHEMBL11463231 0.87 PIM1 (0.58) PIM1LMNATP53KDM4EGLA
SCHEMBL24138422 0.86 PIM1 (0.51) PIM1LMNATP53KDM4EGLA
SCHEMBL17182493 0.86 ALDH1A1 (0.56) PIM1LMNATP53KDM4EGLA
SCHEMBL6622094 0.82 TP53 (0.60) PIM1LMNATP53KDM4EGLA
SCHEMBL12795524 0.82 LMNA (0.51) PIM1LMNATP53KDM4EGLA
SCHEMBL5101629 0.82 LMNA (0.51) LMNATP53KDM4EGLAHPGD
SCHEMBL8713204 0.81 TPSAB1 (0.62) PIM1PIM2
SCHEMBL13855906 0.79 ALDH1A1 (0.63) PIM1LMNAKDM4EGLAHPGD

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
CN-103450125-B A kind of 5-replaces the synthetic method of benzofuran-2-carboxylic acid and derivative thereof CHIMICA LABORATORIES CO., LTD. (CN) 2016-01-13 CN disclosed