SCHEMBL6174566

SCHEMBL6174566

O=C1OC(Cc2ccccc2)(c2ccccc2)CC(O)=C1C(C=Cc1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.35
CNR2 P34972 1/20 0.34
CYP1A2 P05177 1/20 0.33
EGFR P00533 1/20 0.33
TEAD4 Q15561 1/20 0.31
WRN Q14191 2/20 0.30
NR3C2 P08235 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
SCHEMBL6174563 1.00 LDHA (0.35) LDHACNR2CYP1A2EGFRTEAD4
SCHEMBL6174313 0.86 EGFR (0.37) LDHAEGFRWRNNR3C2
SCHEMBL6178714 0.81 MLNR (0.40) CNR2CYP1A2WRNNR3C2
SCHEMBL6178709 0.81 MLNR (0.40) CNR2CYP1A2WRNNR3C2
SCHEMBL6174266 0.80 MLNR (0.42) CNR2CYP1A2TEAD4WRN
SCHEMBL6174269 0.80 MLNR (0.42) CNR2CYP1A2TEAD4WRN
SCHEMBL6174355 0.79 OPRD1 (0.36) CNR2CYP1A2NR3C2
SCHEMBL6174351 0.79 OPRD1 (0.36) CNR2CYP1A2NR3C2
SCHEMBL6175172 0.79 LDHA (0.38) LDHAEGFRWRNNR3C2
SCHEMBL6192535 0.78 CNR2 (0.36) CNR2CYP1A2TEAD4NR3C2

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-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
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