SCHEMBL9199802

SCHEMBL9199802

O=c1oc(CCCCC2CCCOC2)cc(O)c1CCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
HTR2C P28335 2/20 0.36
LMNA P02545 1/20 0.35
PGAM1 P18669 1/20 0.35
PDE4D Q08499 2/20 0.35
IGF1R P08069 1/20 0.34
ALOX15 P16050 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ASAH1 Q13510 2/20 0.34
MCL1 Q07820 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL9199296 0.82 HTR2B (0.56) HTR2BHTR2CPGAM1IGF1RALOX15
SCHEMBL9195193 0.82 HTR2B (0.45) HTR2BMEN1KMT2ARAB9AHTR2C
SCHEMBL6178657 0.81 HTR2B (0.57) HTR2BHTR2CPGAM1IGF1RALOX15
SCHEMBL9196131 0.78 MEN1 (0.34) MEN1KMT2ARAB9A
SCHEMBL9199797 0.78 CNR1 (0.36) HTR2BMEN1KMT2ARAB9AHTR2C
SCHEMBL9198549 0.78 MEN1 (0.34) MEN1KMT2ARAB9A
SCHEMBL6177760 0.78 HTR2B (0.52) HTR2BHTR2CPGAM1IGF1RALOX15
SCHEMBL6173771 0.77 CNR1 (0.50) HTR2BHTR2C
SCHEMBL6174221 0.74 HTR2B (0.49) HTR2BRAB9AHTR2CPGAM1IGF1R
SCHEMBL6176274 0.74 IDH1 (0.49) HTR2BHTR2CPGAM1IGF1RALOX15

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 claimed