SCHEMBL9199296

SCHEMBL9199296

O=c1oc(CCCCc2ccccc2)cc(O)c1CCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 12/20 0.56
IGF1R P08069 1/20 0.49
ALOX15 P16050 1/20 0.49
HTR2C P28335 4/20 0.48
PGAM1 P18669 1/20 0.46
HTR3A P46098 1/20 0.45
DAO P14920 1/20 0.42
SLC28A3 Q9HAS3 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6178657 0.98 HTR2B (0.57) HTR2BIGF1RALOX15HTR2CPGAM1
SCHEMBL6177760 0.94 HTR2B (0.52) HTR2BIGF1RALOX15HTR2CPGAM1
SCHEMBL6173771 0.93 CNR1 (0.50) HTR2BHTR2CMAPT
SCHEMBL6174221 0.90 HTR2B (0.49) HTR2BIGF1RALOX15HTR2CPGAM1
SCHEMBL6176274 0.90 IDH1 (0.49) HTR2BIGF1RALOX15HTR2CPGAM1
SCHEMBL9199124 0.87 IGF1R (0.46) HTR2BIGF1RALOX15HTR2CPGAM1
SCHEMBL9196012 0.87 HTR2B (0.46) HTR2BIGF1RALOX15HTR2CPGAM1
SCHEMBL9195193 0.86 HTR2B (0.45) HTR2BIGF1RALOX15HTR2CPGAM1
SCHEMBL6174060 0.85 HTR2B (0.44) HTR2BIGF1RALOX15HTR2CPGAM1
SCHEMBL7449079 0.85 HTR2B (0.44) HTR2BIGF1RALOX15HTR2CPGAM1

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