SCHEMBL9623617

SCHEMBL9623617

O=C(O)c1cc(Br)c(OC(CCCOc2c(Br)cccc2Br)C(=O)O)c(Br)c1Br

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.39
PPARG P37231 6/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARA Q07869 6/20 0.38
THRA P10827 5/20 0.36
THRB P10828 5/20 0.36
PTPN1 P18031 7/20 0.35
PTPRC P08575 1/20 0.34
PTPRF P10586 1/20 0.34
PTPRA P18433 1/20 0.34
PTPRB P23467 1/20 0.34
PTPN6 P29350 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN12 Q05209 1/20 0.34

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
SCHEMBL9623562 0.89 PPARG (0.39) FOLH1PPARGPTGESALOX5PPARA
SCHEMBL9623912 0.84 FOLH1 (0.47) FOLH1PPARGPTGESALOX5PPARA
SCHEMBL9623199 0.73 FOLH1 (0.43) FOLH1PPARGPTGESALOX5PPARA
SCHEMBL9623215 0.72 KMT2A (0.40) FOLH1PPARGPTGESALOX5PPARA
SCHEMBL9623582 0.71 TPMT (0.45) THRATHRB
SCHEMBL9623891 0.71 FOLH1 (0.40) FOLH1PPARGPTGESALOX5PPARA
SCHEMBL9622907 0.70 PLAU (0.51) FOLH1PPARGPTGESALOX5PPARA
SCHEMBL9623654 0.68 FOLH1 (0.47) FOLH1PPARGPTGESALOX5PPARA
SCHEMBL9623612 0.68 FOLH1 (0.47) FOLH1PPARGPTGESALOX5PPARA
SCHEMBL8915841 0.67 ALDH1A1 (0.38) THRATHRB

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