SCHEMBL8984902

SCHEMBL8984902

O=C(O)CCc1ccc(OCC2CCCCC2)c(-c2cc(CCC(=O)O)ccc2OCC2CCCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.60
THRB P10828 3/20 0.60
S1PR1 P21453 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FFAR1 O14842 4/20 0.44
FFAR4 Q5NUL3 4/20 0.44
SRC P12931 3/20 0.44
PTGER1 P34995 1/20 0.43
XDH P47989 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
LMNA P02545 1/20 0.42
C5AR1 P21730 1/20 0.42

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
SCHEMBL9362335 0.94 THRA (0.54) THRATHRBS1PR1MEN1KMT2A
SCHEMBL8984900 0.92 THRA (0.51) THRATHRBS1PR1MEN1KMT2A
SCHEMBL1013811 0.92 THRA (0.54) THRATHRBS1PR1MEN1KMT2A
SCHEMBL7725119 0.90 THRA (0.52) THRATHRBS1PR1FFAR1FFAR4
SCHEMBL7735134 0.90 THRA (0.52) THRATHRBS1PR1MEN1KMT2A
SCHEMBL3682530 0.88 THRA (0.48) THRATHRBS1PR1FFAR1FFAR4
SCHEMBL3684301 0.87 THRA (0.71) THRATHRBS1PR1MEN1KMT2A
SCHEMBL7735332 0.87 FFAR1 (0.51) THRATHRBS1PR1MEN1KMT2A
SCHEMBL3888439 0.86 FFAR4 (0.54) THRATHRBS1PR1FFAR1FFAR4
SCHEMBL3885965 0.85 THRA (0.50) THRATHRBS1PR1FFAR1FFAR4

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-0473308-B1 Aldose reductase inhibitor ASAHI CHEMICAL IND (JP) 1996-05-22 EP disclosed
US-5155259-A High stability; prevention and therapy of diabetic complications TOYO JOZO KABUSHIKI KAISHA (JP) 1992-10-13 US disclosed
EP-0473308-A1 Aldose reductase inhibitor ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1992-03-04 EP disclosed