SCHEMBL6173097

SCHEMBL6173097

O=c1oc(C(CC2CC2)CC2CC2)cc(O)c1C(C1CCCCC1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VKORC1 Q9BQB6 2/20 0.36
CEL P19835 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CRHBP P24387 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
CRHR2 Q13324 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
SCHEMBL27347800 0.78 VKORC1 (0.34) VKORC1
SCHEMBL27426853 0.77 VKORC1 (0.36) VKORC1MEN1KMT2A
SCHEMBL6178325 0.74
SCHEMBL6173939 0.74 MAPT (0.31)
SCHEMBL6174074 0.73 SIGMAR1 (0.36)
SCHEMBL6175688 0.73 CYP2C9 (0.38) VKORC1MEN1LMNATP53CRHBP
SCHEMBL7402047 0.72 CYP2C9 (0.31) VKORC1
SCHEMBL7480491 0.72 ELANE (0.33) CEL
SCHEMBL6174348 0.72 MAPK1 (0.34) VKORC1LMNATP53HTT
SCHEMBL6174757 0.72 CYP2C9 (0.52) VKORC1MEN1KMT2A

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 13 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
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 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
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 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
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