SCHEMBL6174221

SCHEMBL6174221

CCCc1cc(O)c(CCCc2ccccc2)c(=O)o1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.49
HTR2C P28335 2/20 0.45
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
PGAM1 P18669 1/20 0.44
HTR3A P46098 1/20 0.42
IGF1R P08069 1/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ELANE P08246 2/20 0.40

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
SCHEMBL6173771 0.92 CNR1 (0.50) HTR2BHTR2CCNR1CNR2MAPT
SCHEMBL6178657 0.92 HTR2B (0.57) HTR2BHTR2CPGAM1HTR3AIGF1R
SCHEMBL9199296 0.90 HTR2B (0.56) HTR2BHTR2CPGAM1HTR3AIGF1R
SCHEMBL6177760 0.90 HTR2B (0.52) HTR2BHTR2CPGAM1HTR3AIGF1R
SCHEMBL6176274 0.86 IDH1 (0.49) HTR2BHTR2CCNR1CNR2PGAM1
SCHEMBL9196012 0.83 HTR2B (0.46) HTR2BHTR2CPGAM1HTR3AIGF1R
SCHEMBL6175677 0.83 PGAM1 (0.47) HTR2BHTR2CCNR1CNR2PGAM1
SCHEMBL9195193 0.82 HTR2B (0.45) HTR2BHTR2CPGAM1HTR3AIGF1R
SCHEMBL6174060 0.82 HTR2B (0.44) HTR2BHTR2CPGAM1HTR3AIGF1R
SCHEMBL7449079 0.81 HTR2B (0.44) HTR2BHTR2CPGAM1HTR3AIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203770-B1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases UPJOHN CO (US) 2005-03-09 EP disclosed
EP-0668860-B1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES UPJOHN CO (US) 2002-09-11 EP disclosed
EP-1203770-A1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases PHARMACIA & UPJOHN COMPANY (US) 2002-05-08 EP disclosed
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
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 WO disclosed