SCHEMBL10779339

SCHEMBL10779339

O=C(O)CCC1OC(=O)C(O)=C1c1cccc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.70
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 2/20 0.45
CTSK P43235 1/20 0.42
CNR2 P34972 1/20 0.41
MME P08473 1/20 0.40
S1PR5 Q9H228 2/20 0.40
S1PR4 O95977 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
RORC P51449 2/20 0.39
FFAR1 O14842 2/20 0.39
SLC13A5 Q86YT5 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GRK6 P43250 1/20 0.38

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
SCHEMBL10481172 0.86 KDM4E (0.51) KDM4EGRIN1GRIN2BRORCALDH1A1
SCHEMBL10481097 0.85 KDM4E (0.49) KDM4ERXRARXRBRXRGCTSK
SCHEMBL8904639 0.83 KDM4E (1.00) KDM4ERXRARXRBRXRGFFAR1
SCHEMBL26679443 0.74 APEX1 (0.47) KDM4EFFAR1
SCHEMBL10481149 0.74 GRIN1 (0.44) KDM4EGRIN1GRIN2BRORCALDH1A1
SCHEMBL8337601 0.67 SLC13A5 (0.67) RXRARXRBRXRGCTSKMME
SCHEMBL10775667 0.66 KDM4E (0.68) KDM4EALDH1A1
SCHEMBL23296145 0.65 RXRA (0.58) RXRARXRBRXRGS1PR5GRIN1
SCHEMBL10481117 0.64 KDM4E (0.64) KDM4EFFAR1ALDH1A1
SCHEMBL10481128 0.64 KDM4E (0.60) KDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0099692-B1 NEW FURANONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-03-18 EP disclosed
EP-0189272-A2 New furanone derivatives, processes for preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-07-30 EP disclosed
US-4585789-A ALDOSE REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-29 US disclosed
EP-0099692-A1 New furanone derivatives, process for the preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-02-01 EP disclosed