SCHEMBL9680898

SCHEMBL9680898

COC(=O)CCCc1ccc(O)c(-c2cc(CCCC(=O)OC)ccc2OCCCCl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
RXRA P19793 1/20 0.44
ALOX5 P09917 3/20 0.40
OR51E2 Q9H255 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
ADRB2 P07550 2/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 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
SCHEMBL9680956 0.91 RXRA (0.48) MAPTRXRAALOX5OR51E2MTNR1A
SCHEMBL9680935 0.91 RXRA (0.53) MAPTRXRAALOX5CYP1A2CYP3A4
SCHEMBL9358203 0.88 RXRA (0.54) RXRACYP1A2CYP3A4CYP2C19CNR1
SCHEMBL9358192 0.88 RXRA (0.54) RXRACYP1A2CYP3A4CYP2C19CNR1
SCHEMBL9681186 0.88 CNR1 (0.44) MAPTRXRAALOX5OR51E2MTNR1A
SCHEMBL9362344 0.87 HDAC1 (0.43) MAPTRXRAALOX5OR51E2MTNR1A
SCHEMBL9362113 0.86 GABRA1 (0.53) ALOX5OR51E2MTNR1AMTNR1BCYP1A2
SCHEMBL8984897 0.86 CNR1 (0.51) ALOX5OR51E2MTNR1AMTNR1BCNR1
SCHEMBL8984886 0.84 MAPT (0.49) MAPTMTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL8984878 0.83 PPARG (0.49) MAPTRXRACNR2

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