SCHEMBL9623613

SCHEMBL9623613

O=C(O)c1ccc(OC(CCCOc2ccccc2)C(=O)O)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.51
POLB P06746 1/20 0.48
CASP6 P55212 1/20 0.48
PKM P14618 1/20 0.47
PPARA Q07869 3/20 0.46
PPARG P37231 3/20 0.46
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
PARP10 Q53GL7 1/20 0.42
RARB P10826 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.40
PPARD Q03181 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
GRM2 Q14416 1/20 0.40
TTR P02766 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40

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
SCHEMBL9623316 0.89 PPARA (0.46) FOLH1POLBCASP6PPARAPPARG
SCHEMBL9622883 0.86 FOLH1 (0.51) FOLH1POLBCASP6PKMPPARA
SCHEMBL9634846 0.81 PPARG (0.64) FOLH1PKMPPARAPPARGPTGES
SCHEMBL11345159 0.77 PPARG (0.70) FOLH1PPARAPPARGPTGESALOX5
SCHEMBL9623199 0.76 FOLH1 (0.43) FOLH1POLBPPARAPPARGPTGES
SCHEMBL9623914 0.75 PPARG (0.51) FOLH1PPARAPPARGHTTTDP1
SCHEMBL9623931 0.75 MEN1 (0.48) FOLH1POLBPKMPPARAPPARG
SCHEMBL9623318 0.75 TDP1 (0.49) FOLH1POLBCASP6PPARAPPARG
SCHEMBL9623626 0.74 PKM (0.60) POLBCASP6PKMRARBHTT
SCHEMBL9623912 0.73 FOLH1 (0.47) FOLH1PPARAPPARGPTGESALOX5

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