SCHEMBL6174348

SCHEMBL6174348

O=c1oc(C(CC2CC2)CC2CCCOC2)cc(O)c1C(c1ccccc1)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
CYP2C9 P11712 5/20 0.33
FEN1 P39748 1/20 0.32
VKORC1 Q9BQB6 4/20 0.31
REN P00797 3/20 0.31
CYP3A4 P08684 1/20 0.31
CTSS P25774 1/20 0.30
NQO1 P15559 1/20 0.30
HPGD P15428 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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 0.92 CYP2C9 (0.38) MAPK1CYP2C9FEN1VKORC1REN
SCHEMBL27426853 0.91 VKORC1 (0.36) CYP2C9VKORC1CYP3A4NQO1
SCHEMBL6174752 0.91 NQO1 (0.35) MAPK1CYP2C9VKORC1RENCYP3A4
SCHEMBL6175603 0.87 MAPK1 (0.35) MAPK1CYP2C9FEN1VKORC1REN
SCHEMBL6176061 0.87 CYP2C9 (0.39) MAPK1CYP2C9VKORC1
SCHEMBL6175017 0.85 CYP2C9 (0.40) CYP2C9VKORC1NQO1
SCHEMBL7477252 0.84 BRD4 (0.32) RENCYP3A4
SCHEMBL6175688 0.84 CYP2C9 (0.38) CYP2C9VKORC1LMNATP53HTT
SCHEMBL6175227 0.84 SIGMAR1 (0.34) CYP2C9VKORC1NQO1
SCHEMBL6185573 0.83 CYP2C9 (0.38) CYP2C9VKORC1NQO1

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