SCHEMBL9517277

SCHEMBL9517277

COC(=O)[C@@H]1CC=CC[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
KCNH2 Q12809 2/20 0.49
MAPT P10636 1/20 0.49
MAOA P21397 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SCN1A P35498 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SCN2A Q99250 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
SCN3A Q9NY46 1/20 0.49

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
SCHEMBL9517275 1.00 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9517282 1.00 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9517864 0.85 KCNH2 (0.52) KCNH2MAPT
SCHEMBL9517159 0.85 KCNH2 (0.52) KCNH2MAPT
SCHEMBL9517164 0.85 KCNH2 (0.52) KCNH2MAPT
SCHEMBL9517909 0.84 POLB (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9592504 0.84 POLB (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9518832 0.84 POLB (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9696781 0.79 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2692166 0.79 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5216141-A OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR LINKAGES BENNER, STEVEN 1993-06-01 US disclosed
EP-0418309-A4 OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR 1993-01-07 EP disclosed
EP-0418309-A1 OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR BENNER, Steven Albert (CH) 1991-03-27 EP disclosed
WO-1989012060-A1 OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR BENNER STEVEN ALBERT (CH) 1989-12-14 WO disclosed