SCHEMBL6175603

SCHEMBL6175603

CC(C)C(CC1CCCOC1)c1cc(O)c(C(c2ccccc2)C2CC2)c(=O)o1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
CYP2C9 P11712 6/20 0.32
REN P00797 3/20 0.32
CYP3A4 P08684 2/20 0.32
FEN1 P39748 1/20 0.32
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
VKORC1 Q9BQB6 2/20 0.31
CYP2D6 P10635 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL6174251 0.88 CYP2C9 (0.38) MAPK1CYP2C9RENCYP3A4FEN1
SCHEMBL6174348 0.87 MAPK1 (0.34) MAPK1CYP2C9RENCYP3A4FEN1
SCHEMBL6174752 0.86 NQO1 (0.35) MAPK1CYP2C9RENCYP3A4VKORC1
SCHEMBL6176061 0.83 CYP2C9 (0.39) MAPK1CYP2C9VKORC1
SCHEMBL6175816 0.81 VKORC1 (0.34) CYP2C9MEN1KMT2AVKORC1
SCHEMBL9193978 0.79 MAPK1 (0.34) MAPK1RENFEN1HPGDMEN1
SCHEMBL27430442 0.78 VKORC1 (0.36) CYP2C9HPGDMEN1KMT2AVKORC1
SCHEMBL9196131 0.78 MEN1 (0.34) MAPK1FEN1MEN1KMT2A
SCHEMBL9198549 0.78 MEN1 (0.34) MAPK1FEN1MEN1KMT2A
SCHEMBL6175688 0.77 CYP2C9 (0.38) CYP2C9MEN1KMT2AVKORC1

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