SCHEMBL6175037

SCHEMBL6175037

CCC(c1ccccc1)c1c(O)c(Br)c(CCC2CC2)oc1=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 11/20 0.50
VKORC1 Q9BQB6 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALB P02768 1/20 0.37
PCSK7 Q16549 1/20 0.37
NQO1 P15559 1/20 0.35
THRB P10828 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL6173192 0.86 CYP2C9 (0.56) CYP2C9VKORC1MEN1KMT2AHSD17B10
SCHEMBL6174542 0.84 CYP2C9 (0.48) CYP2C9VKORC1MEN1KMT2AHSD17B10
SCHEMBL6176033 0.83 CYP2C9 (0.54) CYP2C9VKORC1MEN1KMT2AHSD17B10
SCHEMBL6174544 0.81 CYP2C9 (0.43) CYP2C9VKORC1MEN1KMT2AHSD17B10
SCHEMBL7489325 0.81 CYP2C9 (0.52) CYP2C9VKORC1MEN1KMT2AHSD17B10
SCHEMBL6174549 0.80 CYP2C9 (0.53) CYP2C9VKORC1MEN1KMT2AHSD17B10
SCHEMBL6173532 0.78 CYP2C9 (0.48) CYP2C9VKORC1MEN1KMT2AHSD17B10
SCHEMBL6175597 0.76 CYP2C9 (0.60) CYP2C9VKORC1MEN1KMT2AHSD17B10
SCHEMBL27333958 0.76 CYP2C9 (0.44) CYP2C9VKORC1MEN1KMT2AHSD17B10
SCHEMBL6176766 0.74 CYP2C9 (0.58) CYP2C9VKORC1MEN1KMT2AHSD17B10

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