SCHEMBL9681564

SCHEMBL9681564

CCCCCCCOc1ccc(CCC(=O)O)cc1-c1cc(CCC(=O)O)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.72
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
LTB4R Q15722 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
PTPN11 Q06124 1/20 0.47
KAT8 Q9H7Z6 2/20 0.47
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL9357859 1.00 RXRA (0.72) RXRATHRATHRBLTB4RCYP1A2
SCHEMBL9358171 1.00 RXRA (0.72) RXRATHRATHRBLTB4RCYP1A2
SCHEMBL9362319 0.95 RXRA (0.71) RXRATHRATHRBLTB4RCYP1A2
SCHEMBL9679355 0.91 RXRA (0.63) RXRALTB4RCNR1CNR2LMNA
SCHEMBL9679804 0.89 RXRA (0.59) RXRALTB4R
SCHEMBL9358181 0.87 RXRA (0.57) RXRACYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL9358161 0.87 RXRA (0.57) RXRACYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL9362039 0.87 RXRA (0.57) RXRACYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL9362271 0.87 RXRA (0.57) RXRACYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL8984893 0.86 RXRA (0.56) RXRATHRATHRBLTB4RCYP1A2

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