SCHEMBL9623610

SCHEMBL9623610

O=C(O)c1ccc(OCCOc2ccc(C(=O)O)cc2F)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.66
MAPK1 P28482 1/20 0.66
HTT P42858 1/20 0.66
RAB9A P51151 1/20 0.66
MRGPRX4 Q96LA9 5/20 0.51
POLB P06746 1/20 0.51
CASP6 P55212 1/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
TSHR P16473 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
TPMT P51580 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL9622934 0.92 PKM (0.60) LMNAMAPK1HTTRAB9APOLB
SCHEMBL9623405 0.92 LMNA (0.57) LMNAMAPK1HTTRAB9AMRGPRX4
SCHEMBL2590444 0.92 HTT (0.66) LMNAMAPK1HTTRAB9AMRGPRX4
SCHEMBL25317057 0.91 LMNA (0.60) LMNAMAPK1HTTRAB9AMRGPRX4
SCHEMBL926838 0.91 LMNA (0.60) LMNAMAPK1HTTRAB9AMRGPRX4
SCHEMBL15067061 0.90 LMNA (0.58) LMNAMAPK1HTTRAB9AMRGPRX4
SCHEMBL1470380 0.90 LMNA (0.63) LMNAMAPK1HTTRAB9AMRGPRX4
SCHEMBL24214163 0.89 LMNA (0.54) LMNAMAPK1HTTRAB9AMRGPRX4
SCHEMBL1749795 0.89 THRA (0.62) LMNAMAPK1HTTRAB9ATHRA
SCHEMBL9440011 0.89 THRA (0.66) LMNAMAPK1HTTRAB9ATHRA

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 3 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
EP-0212944-A2 Melt-processable aromatic copolyester Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1987-03-04 EP disclosed