SCHEMBL9623316

SCHEMBL9623316

O=C(O)c1ccc(OC(CCCOc2ccccc2Br)C(=O)O)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.46
FOLH1 Q04609 1/20 0.44
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
CASP6 P55212 1/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL9623613 0.89 FOLH1 (0.51) PPARAFOLH1PTGESALOX5PPARG
SCHEMBL9623199 0.87 FOLH1 (0.43) PPARAFOLH1PTGESALOX5PPARG
SCHEMBL9623318 0.79 TDP1 (0.49) PPARAFOLH1PTGESALOX5PPARG
SCHEMBL9623914 0.79 PPARG (0.51) PPARAFOLH1PPARGKDM4ERAB9A
SCHEMBL9623931 0.79 MEN1 (0.48) PPARAFOLH1PPARGALDH1A1NPC1
SCHEMBL9623562 0.77 PPARG (0.39) PPARAFOLH1PTGESALOX5PPARG
SCHEMBL9623616 0.76 RXRA (0.51) FOLH1PPARGKDM4EALDH1A1SMN1; SMN2
SCHEMBL9622873 0.76 F2 (0.56) F2PLAUST14ALDH1A1THRA
SCHEMBL9622883 0.75 FOLH1 (0.51) PPARAFOLH1PTGESALOX5PPARG
SCHEMBL9623912 0.75 FOLH1 (0.47) PPARAFOLH1PLAUPTGESALOX5

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