SCHEMBL9623929

SCHEMBL9623929

O=C(O)c1cc(F)c(OCCOc2c(F)cc(C(=O)O)cc2F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.53
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CA3 P07451 1/20 0.41
MAPT P10636 1/20 0.41
SELL P14151 1/20 0.41
HPGD P15428 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
SCHEMBL1665700 0.91 PLAU (0.46) PLAULMNAMAPK1HTTRAB9A
SCHEMBL3082321 0.89 PLAU (0.51) PLAULMNAMAPK1HTTRAB9A
SCHEMBL17468145 0.87 PLA2G2A (0.54) PLAUTP53PLA2G2A
SCHEMBL9623878 0.87 PLAU (0.43) PLAULMNAMAPK1HTTRAB9A
SCHEMBL9623405 0.87 LMNA (0.57) PLAULMNAMAPK1HTTRAB9A
SCHEMBL14804195 0.87 PLAU (0.43) PLAULMNAMAPK1HTTRAB9A
SCHEMBL1582833 0.84 PLA2G2A (0.64) ALDH1A1TP53HPGDPLA2G2A
SCHEMBL1012426 0.84 PDE5A (0.46) PLAULMNAMAPK1HTTRAB9A
SCHEMBL5430615 0.81 L3MBTL1 (0.49) PLAULMNAMAPK1HTTRAB9A
SCHEMBL2287267 0.80 NPC1 (0.40) PLAULMNAMAPK1HTTRAB9A

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-0212944-B1 MELT-PROCESSABLE AROMATIC COPOLYESTER Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1992-04-08 EP disclosed
US-4746721-A ENGINEERING PLASTICS KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1988-05-24 US disclosed