SCHEMBL6174544

SCHEMBL6174544

CCC(c1ccccc1)c1c(O)c(Br)c(CCCC2CC2C2CC2)oc1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 9/20 0.43
VKORC1 Q9BQB6 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALB P02768 1/20 0.33
PCSK7 Q16549 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
THRB P10828 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
SCHEMBL6175037 0.81 CYP2C9 (0.50) CYP2C9VKORC1KDM4EALDH1A1ALB
SCHEMBL6174539 0.80 CYP2C9 (0.44) CYP2C9VKORC1KDM4EALDH1A1ALB
SCHEMBL27333958 0.80 CYP2C9 (0.44) CYP2C9VKORC1KDM4EALDH1A1ALB
SCHEMBL7489325 0.79 CYP2C9 (0.52) CYP2C9VKORC1KDM4EALDH1A1ALB
SCHEMBL6173192 0.79 CYP2C9 (0.56) CYP2C9VKORC1KDM4EALDH1A1ALB
SCHEMBL6174542 0.78 CYP2C9 (0.48) CYP2C9VKORC1KDM4EALDH1A1ALB
SCHEMBL6176033 0.77 CYP2C9 (0.54) CYP2C9VKORC1KDM4EALDH1A1ALB
SCHEMBL6175597 0.70 CYP2C9 (0.60) CYP2C9VKORC1KDM4EALDH1A1ALB
SCHEMBL6174549 0.69 CYP2C9 (0.53) CYP2C9VKORC1KDM4EALDH1A1ALB
SCHEMBL6176766 0.68 CYP2C9 (0.58) 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 8 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
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