SCHEMBL6175689

SCHEMBL6175689

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.36
LDHA P00338 2/20 0.36
UTS2R Q9UKP6 6/20 0.35
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 4/20 0.32
MAPT P10636 4/20 0.32
CYP3A4 P08684 4/20 0.32
ALOX15 P16050 3/20 0.32
HPGD P15428 3/20 0.32
USP2 O75604 2/20 0.32
TP53 P04637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 2/20 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
SCHEMBL27431263 0.88 EGFR (0.36) EGFRLDHAUTS2RGAAKDM4E
SCHEMBL6175498 0.86 LDHA (0.34) EGFRLDHAUTS2RALDH1A1GAA
SCHEMBL6174313 0.85 EGFR (0.37) EGFRLDHAUTS2RALDH1A1HTT
SCHEMBL6185030 0.85 KMT2A (0.38) MEN1KMT2A
SCHEMBL6173274 0.84 OPRD1 (0.39) EGFRLDHAUTS2RALDH1A1GAA
SCHEMBL9289119 0.80 MLNR (0.37) MEN1KMT2APPARGMLNRNR1I2
SCHEMBL6175679 0.80 OPRD1 (0.48) GAAKDM4EMAPTCYP3A4ALOX15
SCHEMBL6175249 0.78 MLNR (0.41) EGFRLDHAUTS2RALDH1A1GAA
SCHEMBL6173748 0.77 OPRD1 (0.36) ALDH1A1CYP3A4PPARGMLNRNR1I2
SCHEMBL6175686 0.74 LDHA (0.38) EGFRLDHAUTS2RALDH1A1

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