SCHEMBL6174757

SCHEMBL6174757

CCC(c1ccccc1)c1c(O)cc(C(CC2CC2)CC2CC2)oc1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 11/20 0.52
VKORC1 Q9BQB6 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALB P02768 1/20 0.39
PCSK7 Q16549 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NQO1 P15559 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 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
SCHEMBL6173770 0.86 CYP2C9 (0.60) CYP2C9VKORC1HSD17B10ALDH1A1KDM4E
SCHEMBL6174263 0.86 CYP2C9 (0.46) CYP2C9VKORC1HSD17B10ALDH1A1KDM4E
SCHEMBL6174622 0.85 CYP2C9 (0.61) CYP2C9VKORC1HSD17B10ALDH1A1KDM4E
SCHEMBL6175017 0.84 CYP2C9 (0.40) CYP2C9VKORC1HSD17B10ALDH1A1KDM4E
SCHEMBL27426853 0.83 VKORC1 (0.36) CYP2C9VKORC1HSD17B10ALDH1A1KDM4E
SCHEMBL6178401 0.83 CYP2C9 (0.56) CYP2C9VKORC1HSD17B10ALDH1A1KDM4E
SCHEMBL6173543 0.81 CYP2C9 (0.55) CYP2C9VKORC1HSD17B10ALDH1A1KDM4E
SCHEMBL6174549 0.81 CYP2C9 (0.53) CYP2C9VKORC1HSD17B10ALDH1A1KDM4E
SCHEMBL6175609 0.81 CYP2C9 (0.54) CYP2C9VKORC1HSD17B10ALDH1A1KDM4E
SCHEMBL6173602 0.81 CYP2C9 (0.54) CYP2C9VKORC1HSD17B10ALDH1A1KDM4E

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