SCHEMBL8772828

SCHEMBL8772828

CCCCCCCCCOc1cc(C=CC(=O)OCC)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.61
ACHE P22303 4/20 0.59
BCHE P06276 3/20 0.59
HTR1A P08908 3/20 0.59
HTR2C P28335 3/20 0.59
HTR2A P28223 1/20 0.59
SLC6A4 P31645 1/20 0.59
HTR7 P34969 1/20 0.59
HTR6 P50406 1/20 0.59
ABCB1 P08183 4/20 0.56
ABCC1 P33527 4/20 0.56
ABCG2 Q9UNQ0 4/20 0.56
ALOX5 P09917 1/20 0.55
MAOB P27338 1/20 0.54
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL8772825 1.00 FDPS (0.61) FDPSACHEBCHEHTR1AHTR2C
SCHEMBL8772809 0.93 FDPS (0.60) FDPSACHEBCHEHTR1AHTR2C
SCHEMBL8772803 0.93 FDPS (0.60) FDPSACHEBCHEHTR1AHTR2C
SCHEMBL10610360 0.90 ABCB1 (0.67) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL10606238 0.90 ABCB1 (0.67) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL16562710 0.88 FDPS (0.63) FDPSACHEBCHEHTR1AHTR2C
SCHEMBL8772838 0.87 MAOB (0.68) FDPSHTR1AHTR2CABCB1ABCC1
SCHEMBL8772845 0.87 MAOB (0.68) FDPSHTR1AHTR2CABCB1ABCC1
SCHEMBL17459720 0.85 ALOX5 (0.67) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL17459718 0.85 ALOX5 (0.67) HTR1AHTR2CHTR2ASLC6A4HTR7

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-0801071-A1 LEWIS X DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-10-15 EP disclosed