SCHEMBL9623562

SCHEMBL9623562

O=C(O)c1cc(Br)c(OC(CCCOc2ccccc2Br)C(=O)O)c(Br)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PPARA Q07869 4/20 0.37
PTK2B Q14289 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
PTPN1 P18031 4/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
GRM4 Q14833 1/20 0.36
FOLH1 Q04609 1/20 0.36
PTPRC P08575 1/20 0.35
PTPRF P10586 1/20 0.35

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
SCHEMBL9623617 0.89 FOLH1 (0.39) PPARGPTGESALOX5PPARAPTPN1
SCHEMBL9623199 0.85 FOLH1 (0.43) PPARGPTGESALOX5ALDH1A1KDM4E
SCHEMBL9623316 0.77 PPARA (0.46) PPARGPTGESALOX5ALDH1A1KDM4E
SCHEMBL9623912 0.73 FOLH1 (0.47) PPARGPTGESALOX5PPARAPTPN1
SCHEMBL9623565 0.71 TP53 (0.43) PPARGPTGESALOX5ALDH1A1NPC1
SCHEMBL9623390 0.71 PPARG (0.43) PPARGPTGESALOX5ALDH1A1KDM4E
SCHEMBL9623393 0.69 MRGPRX4 (0.46) PPARGPTGESALOX5ALDH1A1KDM4E
SCHEMBL9623483 0.69 MEN1 (0.46) PPARGPTGESALOX5ALDH1A1NPC1
SCHEMBL10637207 0.69 PTPN11 (0.45) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL9623613 0.67 FOLH1 (0.51) PPARGPTGESALOX5PPARASMN1; SMN2

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