SCHEMBL6174081

SCHEMBL6174081

CCC(Cc1ccc2ccccc2c1)c1cc(O)c(C(CC)c2ccccc2)c(=O)o1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 10/20 0.48
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
NQO1 P15559 2/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
VKORC1 Q9BQB6 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALB P02768 1/20 0.36
PCSK7 Q16549 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL6173602 0.89 CYP2C9 (0.54) CYP2C9NQO1VKORC1KDM4EALDH1A1
SCHEMBL6174948 0.89 CYP2C9 (0.54) CYP2C9NQO1VKORC1KDM4EALDH1A1
SCHEMBL6174912 0.89 CYP2C9 (0.54) CYP2C9NQO1VKORC1KDM4EALDH1A1
SCHEMBL6175124 0.89 CYP2C9 (0.54) CYP2C9NQO1VKORC1KDM4EALDH1A1
SCHEMBL6175609 0.89 CYP2C9 (0.54) CYP2C9NQO1VKORC1KDM4EALDH1A1
SCHEMBL7476525 0.88 CYP2C9 (0.51) CYP2C9NQO1MMEVKORC1KDM4E
SCHEMBL6173543 0.85 CYP2C9 (0.55) CYP2C9NQO1VKORC1KDM4EALDH1A1
SCHEMBL6173770 0.85 CYP2C9 (0.60) CYP2C9NQO1VKORC1KDM4EALDH1A1
SCHEMBL7485149 0.83 CYP2C9 (0.48) CYP2C9NQO1VKORC1KDM4EALDH1A1
SCHEMBL7477110 0.83 ESR1 (0.51) CYP2C9NQO1ALDH1A1

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
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
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
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