SCHEMBL6175087

SCHEMBL6175087

O=c1oc(CCc2ccc(Cl)cc2)cc(O)c1C(c1ccccc1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.39
HTR3A P46098 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TACR1 P25103 3/20 0.35
DAO P14920 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NQO1 P15559 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CACNA1G O43497 2/20 0.33

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
SCHEMBL6174697 0.92 HTR2B (0.43) HTR2BHTR3ADAO
SCHEMBL6173485 0.89 HTR2B (0.37) HTR2BHTR3ADAO
SCHEMBL6174618 0.89 HTR2B (0.37) HTR2BHTR3ATACR1DAO
SCHEMBL6173304 0.86 HTR2B (0.43) HTR2BHTR3A
SCHEMBL6174391 0.86 HTR2B (0.46) HTR2BHTR3ADAO
SCHEMBL6174320 0.84 MAPT (0.39) ALDH1A1MAPTTACR1NQO1PTGDR2
SCHEMBL6175617 0.84 ELANE (0.33) HTR2BALDH1A1MAPTNQO1
SCHEMBL6177695 0.83 CYP2C9 (0.38) ALDH1A1MAPTMEN1KMT2ANQO1
SCHEMBL6174784 0.82 MEN1 (0.35) MEN1KMT2ANQO1
SCHEMBL27395375 0.82 AGTR2 (0.35) HTR2BHTR3AMAPTDAO

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 9 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 claimed
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 claimed
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 claimed
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
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 claimed
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-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