SCHEMBL6174549

SCHEMBL6174549

CCC(c1ccccc1)c1c(O)c(Br)c(C(CC2CC2)CC2CC2)oc1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 11/20 0.53
VKORC1 Q9BQB6 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALB P02768 1/20 0.40
PCSK7 Q16549 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NQO1 P15559 1/20 0.38
THRB P10828 1/20 0.37
CYP3A4 P08684 1/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL6176766 0.82 CYP2C9 (0.58) CYP2C9VKORC1HSD17B10KDM4EALDH1A1
SCHEMBL6174554 0.81 CYP2C9 (0.55) CYP2C9VKORC1HSD17B10KDM4EALDH1A1
SCHEMBL6174757 0.81 CYP2C9 (0.52) CYP2C9VKORC1HSD17B10KDM4EALDH1A1
SCHEMBL6175037 0.80 CYP2C9 (0.50) CYP2C9VKORC1HSD17B10KDM4EALDH1A1
SCHEMBL6174539 0.78 CYP2C9 (0.44) CYP2C9VKORC1HSD17B10KDM4EALDH1A1
SCHEMBL6175597 0.76 CYP2C9 (0.60) CYP2C9VKORC1HSD17B10KDM4EALDH1A1
SCHEMBL6173192 0.73 CYP2C9 (0.56) CYP2C9VKORC1HSD17B10KDM4EALDH1A1
SCHEMBL6174542 0.73 CYP2C9 (0.48) CYP2C9VKORC1HSD17B10KDM4EALDH1A1
SCHEMBL6176033 0.71 CYP2C9 (0.54) CYP2C9VKORC1HSD17B10KDM4EALDH1A1
SCHEMBL6175017 0.71 CYP2C9 (0.40) CYP2C9VKORC1HSD17B10KDM4EALDH1A1

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
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-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 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
CN-1090279-A Be used for the treatment of HIV and other retroviral pyran-2-ones and 5,6-dihydropyrane-2-ketone UPJOHN CO (US) 1994-08-03 CN 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