SCHEMBL6174739

SCHEMBL6174739

O=c1oc(CC(O)c2ccoc2)cc(O)c1C(c1ccccc1)C1CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.32
VKORC1 Q9BQB6 2/20 0.32
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 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
SCHEMBL6174524 0.90 CYP2C9 (0.36) CYP2C9VKORC1
SCHEMBL6174682 0.84 CYP2C9 (0.35) CYP2C9VKORC1LMNATP53MAPT
SCHEMBL6174320 0.84 MAPT (0.39) CYP2C9VKORC1TP53MAPT
SCHEMBL6174385 0.84 MAPT (0.36) CYP2C9VKORC1LMNATP53MAPT
SCHEMBL6174957 0.84 IDO1 (0.35)
SCHEMBL6175580 0.84 IDO1 (0.39) MAPT
SCHEMBL6173802 0.83 CYP2C9 (0.34) CYP2C9VKORC1MAPT
SCHEMBL6176220 0.82 VKORC1 (0.37) CYP2C9VKORC1LMNATP53MAPT
SCHEMBL6174904 0.82 FFAR1 (0.33) CYP2C9VKORC1LMNATP53MAPT
SCHEMBL27333913 0.82 VKORC1 (0.36) CYP2C9VKORC1LMNATP53MAPT

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
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
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
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