SCHEMBL9679804

SCHEMBL9679804

O=C(O)CCCOc1ccc(CCC(=O)O)cc1-c1cc(CCC(=O)O)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.59
PPARG P37231 3/20 0.48
LTB4R Q15722 4/20 0.46
FFAR1 O14842 5/20 0.45
FFAR4 Q5NUL3 4/20 0.45
PPARA Q07869 3/20 0.45
TSHR P16473 1/20 0.44
PPARD Q03181 1/20 0.41

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
SCHEMBL9362319 0.91 RXRA (0.71) RXRAPPARGLTB4RFFAR1FFAR4
SCHEMBL9679355 0.89 RXRA (0.63) RXRAPPARGLTB4RFFAR1FFAR4
SCHEMBL9358171 0.89 RXRA (0.72) RXRALTB4R
SCHEMBL9681564 0.89 RXRA (0.72) RXRALTB4R
SCHEMBL9357859 0.89 RXRA (0.72) RXRALTB4R
SCHEMBL9362305 0.88 FFAR1 (0.58) RXRAFFAR1FFAR4
SCHEMBL9357717 0.86 RXRA (0.54) RXRAPPARGLTB4RFFAR1FFAR4
SCHEMBL9618319 0.84 FFAR4 (0.66) RXRAFFAR1FFAR4
SCHEMBL9634006 0.83 CNR1 (0.57) RXRAFFAR1FFAR4TSHR
SCHEMBL9679818 0.83 GABRA1 (0.57) RXRAFFAR1FFAR4TSHR

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