SCHEMBL6175249

SCHEMBL6175249

CCCC1(c2ccccc2)CC(O)=C(C(CC)c2cccc(O)c2)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
PGR P06401 1/20 0.41
CTSD P07339 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
PGA5 P0DJD9 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CTSE P14091 1/20 0.41
GABRA1 P14867 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD1 P21728 1/20 0.41
HTR2A P28223 1/20 0.41
AGTR1 P30556 1/20 0.41
CCKAR P32238 1/20 0.41
ADRA1A P35348 1/20 0.41
PTGS2 P35354 1/20 0.41
PPARG P37231 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL6173274 0.91 OPRD1 (0.39) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL9289119 0.84 MLNR (0.37) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL6175172 0.79 LDHA (0.38) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL7889203 0.79 LDHA (0.38) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL6175689 0.78 EGFR (0.36) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL6173540 0.78 LDHA (0.40) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL6188801 0.77 SLC22A1 (0.34) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL6174291 0.76 KDM4E (0.39) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL6175498 0.76 LDHA (0.34) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL6185030 0.74 KMT2A (0.38)

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 9 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
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