SCHEMBL6174596

SCHEMBL6174596

CCC(c1ccccc1)c1c(O)cc(CCc2cccc3ccccc23)oc1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 10/20 0.51
MAPT P10636 1/20 0.41
MCL1 Q07820 1/20 0.39
SSTR2 P30874 1/20 0.39
SSTR4 P31391 1/20 0.39
VKORC1 Q9BQB6 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALB P02768 1/20 0.38
PCSK7 Q16549 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NQO2 P16083 1/20 0.38
NQO1 P15559 2/20 0.38

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
SCHEMBL7477024 0.88 CYP2C9 (0.50) CYP2C9MAPTVKORC1KDM4EALDH1A1
SCHEMBL6174038 0.84 CYP2C9 (0.47) CYP2C9VKORC1KDM4EALDH1A1ALB
SCHEMBL6173151 0.83 CYP2C9 (0.52) CYP2C9VKORC1KDM4EALDH1A1ALB
SCHEMBL6172059 0.82 CYP2C9 (0.54) CYP2C9MAPTVKORC1KDM4EALDH1A1
SCHEMBL6175080 0.82 CYP2C9 (0.53) CYP2C9VKORC1KDM4EALDH1A1ALB
SCHEMBL6173773 0.81 CYP2C9 (0.46) CYP2C9MAPTNQO1
SCHEMBL9197415 0.81 CYP2C9 (0.52) CYP2C9VKORC1KDM4EALDH1A1ALB
Benzene SCHEMBL27347783 0.79 CYP2C9 (0.56) CYP2C9MAPTVKORC1KDM4EALDH1A1
SCHEMBL6173305 0.78 CYP2C9 (0.50) CYP2C9MAPT
SCHEMBL6173428 0.78 CYP2C9 (0.47) CYP2C9VKORC1KDM4EALDH1A1ALB

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