SCHEMBL6173773

SCHEMBL6173773

CCC(c1ccccc1)c1c(O)cc(CCc2ccc3ccccc3c2)oc1=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.46
SOX18 P35713 1/20 0.40
CYP1A2 P05177 2/20 0.38
MAPT P10636 1/20 0.37
NQO1 P15559 3/20 0.37
HTR2B P41595 1/20 0.36
HTR3A P46098 1/20 0.36
CYP2A6 P11509 1/20 0.35

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
SCHEMBL6173151 0.88 CYP2C9 (0.52) CYP2C9HTR2BHTR3A
SCHEMBL6173428 0.85 CYP2C9 (0.47) CYP2C9HTR2BHTR3A
SCHEMBL6172059 0.83 CYP2C9 (0.54) CYP2C9MAPTNQO1
SCHEMBL7477024 0.81 CYP2C9 (0.50) CYP2C9MAPT
SCHEMBL6173305 0.81 CYP2C9 (0.50) CYP2C9MAPTHTR2BHTR3A
SCHEMBL6174596 0.81 CYP2C9 (0.51) CYP2C9MAPTNQO1
SCHEMBL6174081 0.81 CYP2C9 (0.48) CYP2C9NQO1HTR2B
SCHEMBL9193880 0.81 CYP2C9 (0.48) CYP2C9NQO1
SCHEMBL6172240 0.80 CYP2C9 (0.53) CYP2C9MAPT
Benzene SCHEMBL27347783 0.80 CYP2C9 (0.56) CYP2C9MAPTNQO1

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 10 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
CN-1040321-C Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating HIV and other retroviruses UPJOHN CO (US) 1998-10-21 CN 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