SCHEMBL6192535

SCHEMBL6192535

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
CYP1A2 P05177 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
NR3C2 P08235 1/20 0.32
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
TEAD4 Q15561 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
SCHEMBL6191091 0.85 KDM4E (0.34) CYP1A2L3MBTL1NR3C2
SCHEMBL6189357 0.81 CNR2 (0.33) CNR2CYP1A2
SCHEMBL6189555 0.80 CNR2 (0.36) CNR2CYP1A2L3MBTL1MMP1MMP2
SCHEMBL6192154 0.79 CYP1A2 (0.34) CNR2CYP1A2MMP2MMP9
SCHEMBL6191973 0.79 CYP2C9 (0.36) L3MBTL1NR3C2
SCHEMBL6174563 0.78 LDHA (0.35) CNR2CYP1A2NR3C2TEAD4
SCHEMBL6174566 0.78 LDHA (0.35) CNR2CYP1A2NR3C2TEAD4
SCHEMBL6191050 0.75 CYP1A2 (0.34) CNR2CYP1A2L3MBTL1NR3C2MMP1
SCHEMBL6189248 0.74 CYP1A2 (0.34) CNR2CYP1A2
SCHEMBL6178714 0.72 MLNR (0.40) CNR2CYP1A2NR3C2

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 2 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