SCHEMBL9199124

SCHEMBL9199124

O=c1oc(CCc2ccccc2)cc(O)c1CCCCc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.46
ALOX15 P16050 1/20 0.46
HTR2B P41595 5/20 0.45
HTR3A P46098 1/20 0.45
DAO P14920 1/20 0.43
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
ASAH1 Q13510 2/20 0.41
HSP90AA1 P07900 1/20 0.40
PPARG P37231 1/20 0.40
PGAM1 P18669 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2C P28335 1/20 0.39
DAGLA Q9Y4D2 1/20 0.38
CA12 O43570 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
SCHEMBL9196012 0.97 HTR2B (0.46) IGF1RALOX15HTR2BHTR3ADAO
SCHEMBL6177760 0.90 HTR2B (0.52) IGF1RALOX15HTR2BHTR3ADAO
SCHEMBL9199296 0.87 HTR2B (0.56) IGF1RALOX15HTR2BHTR3ADAO
SCHEMBL6178657 0.85 HTR2B (0.57) IGF1RALOX15HTR2BHTR3ADAO
SCHEMBL6173771 0.81 CNR1 (0.50) HTR2BHTR2C
SCHEMBL6174221 0.81 HTR2B (0.49) IGF1RALOX15HTR2BHTR3APGAM1
SCHEMBL6176274 0.80 IDH1 (0.49) IGF1RALOX15HTR2BHTR3ADAO
SCHEMBL7449079 0.78 HTR2B (0.44) IGF1RALOX15HTR2BHTR3ADAO
SCHEMBL9195193 0.77 HTR2B (0.45) IGF1RALOX15HTR2BHTR3ADAO
SCHEMBL6174060 0.76 HTR2B (0.44) IGF1RALOX15HTR2BHTR3ADAO

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