SCHEMBL9196012

SCHEMBL9196012

O=c1oc(CCc2ccc(Br)cc2)cc(O)c1CCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 8/20 0.46
HTR3A P46098 1/20 0.45
DAO P14920 1/20 0.43
IGF1R P08069 1/20 0.42
ALOX15 P16050 1/20 0.42
VKORC1 Q9BQB6 1/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
PGAM1 P18669 1/20 0.41
HTR2C P28335 2/20 0.41
PPARG P37231 1/20 0.40
SLC28A3 Q9HAS3 1/20 0.39
ASAH1 Q13510 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL9199124 0.97 IGF1R (0.46) HTR2BHTR3ADAOIGF1RALOX15
SCHEMBL6177760 0.92 HTR2B (0.52) HTR2BHTR3ADAOIGF1RALOX15
SCHEMBL6178657 0.88 HTR2B (0.57) HTR2BHTR3ADAOIGF1RALOX15
SCHEMBL9199296 0.87 HTR2B (0.56) HTR2BHTR3ADAOIGF1RALOX15
SCHEMBL6174221 0.83 HTR2B (0.49) HTR2BHTR3AIGF1RALOX15PGAM1
SCHEMBL6176274 0.83 IDH1 (0.49) HTR2BHTR3ADAOIGF1RALOX15
SCHEMBL6173771 0.81 CNR1 (0.50) HTR2BHTR2C
SCHEMBL7449079 0.81 HTR2B (0.44) HTR2BHTR3ADAOIGF1RALOX15
SCHEMBL9195193 0.79 HTR2B (0.45) HTR2BHTR3ADAOIGF1RALOX15
SCHEMBL6174060 0.79 HTR2B (0.44) HTR2BHTR3ADAOIGF1RALOX15

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-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP disclosed