SCHEMBL6191973

SCHEMBL6191973

CCC(C1=C(O)C(=O)C(Cc2ccccc2)(c2ccccc2)OC1=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
NR3C2 P08235 12/20 0.35
ELANE P08246 2/20 0.35
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HSD11B1 P28845 1/20 0.31

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
SCHEMBL6190123 0.86 CYP2C9 (0.37) CYP2C9ELANEHCAR3HCAR2HSD11B1
SCHEMBL6191091 0.82 KDM4E (0.34) CYP2C9NR3C2L3MBTL1
SCHEMBL6192535 0.79 CNR2 (0.36) NR3C2L3MBTL1
SCHEMBL6192554 0.78 MMP2 (0.36) CYP2C9NR3C2ELANE
SCHEMBL6175172 0.75 LDHA (0.38) CYP2C9NR3C2ELANEHSD11B1
SCHEMBL6174556 0.72 OPRD1 (0.44) CYP2C9NR3C2
SCHEMBL6189771 0.72 MLNR (0.34) CYP2C9NR3C2ELANEL3MBTL1HSD11B1
SCHEMBL6190741 0.70 ACP3 (0.33) NR3C2ELANEL3MBTL1HSD11B1
SCHEMBL6189549 0.68 MMP2 (0.34) CYP2C9ELANE
SCHEMBL6174650 0.68 OPRD1 (0.44) CYP2C9NR3C2

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