SCHEMBL29014544

SCHEMBL29014544

CCOC(=O)c1c(-c2ccc(F)cc2)oc2ccc(O)c(C(=O)N3CCCCC3)c12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
LMNA P02545 4/20 0.50
TSHR P16473 4/20 0.50
ALDH1A1 P00352 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GPR55 Q9Y2T6 1/20 0.50
MAPT P10636 1/20 0.50
ALOX5 P09917 1/20 0.43
PRNP P04156 1/20 0.42
KCNH2 Q12809 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL29014551 0.89 GAA (0.48) GAAMEN1KMT2ALMNATSHR
SCHEMBL28303559 0.84 KCNH2 (0.43) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL29014518 0.84 KCNH2 (0.48) GAAKCNH2
SCHEMBL30482810 0.84 KCNH2 (0.48) GAAKCNH2
SCHEMBL28302265 0.84 KCNH2 (0.46) GAALMNATSHRMAPTKCNH2
SCHEMBL29014509 0.82 MEN1 (0.52) GAAMEN1KMT2ATSHRALDH1A1
SCHEMBL253511 0.81 GAA (0.53) GAAMEN1KMT2ALMNATSHR
SCHEMBL29014527 0.78 GAA (0.59) GAAMEN1KMT2ALMNATSHR
SCHEMBL29014516 0.77 KMT2A (0.48) GAAMEN1KMT2ATSHRALDH1A1
SCHEMBL1917727 0.76 GAA (0.48) GAAMEN1KMT2ALMNATSHR

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-109942523-B Benzofuran and benzofuran coumarin derivatives, and preparation method and application thereof 华东师范大学 2023-06-09 CN disclosed