SCHEMBL6176009

SCHEMBL6176009

CCC(c1cccc(O)c1)C1C(=O)OC(c2ccccc2)(C2CCCCC2)C=C1O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.33
OPRD1 P41143 3/20 0.33
OPRM1 P35372 9/20 0.32
SLC6A4 P31645 6/20 0.32
SLC6A2 P23975 5/20 0.32
KDR P35968 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KCNK3 O14649 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
SCHEMBL6174291 0.72 KDM4E (0.39) OPRM1KDM4EALDH1A1GAAMAPT
SCHEMBL7562120 0.71 ALDH1A1 (0.31) OPRK1OPRM1KDM4EALDH1A1GAA
SCHEMBL6188998 0.69 OPRD1 (0.34) OPRK1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL6173540 0.69 LDHA (0.40) OPRK1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL27427537 0.68 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7562332 0.68 KDM4E (0.32) OPRM1KDM4EALDH1A1GAAMAPT
SCHEMBL18511473 0.64 ESR1 (0.46) OPRK1OPRD1OPRM1SLC6A4KDR
SCHEMBL29377066 0.60 ALDH1A1 (0.42) OPRK1OPRD1OPRM1SLC6A4KDR
SCHEMBL2506238 0.60 ALDH1A1 (0.42) OPRK1OPRD1OPRM1SLC6A4KDR
SCHEMBL2498400 0.60 ALDH1A1 (0.40) SLC6A3KDM4EALDH1A1GAAMAPT

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 4 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 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
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