SCHEMBL9681173

SCHEMBL9681173

O=C(O)CCc1ccc(O)c(-c2cc(CCC(=O)O)ccc2OC2CCCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.52
THRB P10828 3/20 0.52
RXRA P19793 1/20 0.49
FFAR4 Q5NUL3 6/20 0.44
S1PR1 P21453 1/20 0.44
FFAR1 O14842 3/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
PDE4A P27815 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR5 P51681 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CSNK2A1 P68400 1/20 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
SCHEMBL7735708 0.85 THRA (0.52) THRATHRBFFAR4S1PR1FFAR1
SCHEMBL7733967 0.84 FFAR4 (0.50) THRATHRBFFAR4S1PR1FFAR1
SCHEMBL9362335 0.83 THRA (0.54) THRATHRBRXRAFFAR4S1PR1
SCHEMBL7420826 0.80 PDE4A (0.57) THRATHRBHDAC1HDAC2PDE4A
SCHEMBL3883711 0.80 FFAR4 (0.57) THRATHRBFFAR4S1PR1FFAR1
SCHEMBL3881792 0.80 FFAR4 (0.45) THRATHRBFFAR4S1PR1PDE4B
SCHEMBL7735139 0.79 FFAR4 (0.48) THRATHRBFFAR4HDAC1HDAC2
SCHEMBL7335293 0.79 PDE4A (0.58) THRATHRBHDAC1HDAC2PDE4A
SCHEMBL31254180 0.79 THRA (0.52) THRATHRBFFAR4S1PR1FFAR1
SCHEMBL3679192 0.78 FFAR4 (0.58) THRATHRBFFAR4S1PR1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470832-A2 Biphenyl 5,5'-bis-alkanoic acid derivatives, their production and use thereof ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1992-02-12 EP disclosed