SCHEMBL6173540

SCHEMBL6173540

CCC(C1=C(O)CC(c2ccccc2)(C2CCCCC2)OC1=O)c1cccc(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 10/20 0.36
CHRM4 P08173 9/20 0.36
CHRM5 P08912 9/20 0.36
CHRM1 P11229 9/20 0.36
CHRM3 P20309 9/20 0.36
OPRD1 P41143 2/20 0.35
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
ABCB11 O95342 1/20 0.35
PGR P06401 1/20 0.35
CTSD P07339 1/20 0.35
ADRA2A P08913 1/20 0.35
PGA5 P0DJD9 1/20 0.35

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
SCHEMBL6188998 0.80 OPRD1 (0.34) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL6175249 0.78 MLNR (0.41) LDHAKDM4EALDH1A1GAAMAPT
SCHEMBL9198735 0.73 LDHA (0.41) LDHAOPRD1OPRK1OPRM1
SCHEMBL6176108 0.69 CYP2C9 (0.38) KDM4EALDH1A1L3MBTL1CHRM2CHRM4
SCHEMBL6176009 0.69 OPRK1 (0.33) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL6174534 0.68 CYP2C9 (0.39) ALDH1A1MAPTL3MBTL1CHRM2CHRM4
SCHEMBL6188801 0.68 SLC22A1 (0.34) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL7889203 0.67 LDHA (0.38) LDHACHRM2OPRD1MLNRNR1I2
SCHEMBL6173671 0.67 HSD11B1 (0.52)
SCHEMBL6175172 0.67 LDHA (0.38) LDHAALDH1A1MAPTCHRM2OPRD1

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