SCHEMBL6175848

SCHEMBL6175848

C=CC(C1=C(O)CC2(CCCC2)OC1=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
CYP3A4 P08684 3/20 0.36
ALOX15 P16050 3/20 0.36
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
HPGD P15428 3/20 0.33
USP2 O75604 2/20 0.33
TP53 P04637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
EGFR P00533 1/20 0.31
CYP2C19 P33261 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
SCHEMBL6172876 0.99 KDM4E (0.35) KDM4EMAPTCYP3A4ALOX15PPARG
SCHEMBL6174513 0.99 KDM4E (0.35) KDM4EMAPTCYP3A4ALOX15PPARG
SCHEMBL6174857 0.87 ALDH1A1 (0.35) KDM4EMAPTCYP3A4ALOX15PPARG
SCHEMBL6172935 0.82 KDM4E (0.30) KDM4E
SCHEMBL7481615 0.78 KDM4E (0.37) KDM4EMAPTCYP3A4ALOX15PPARG
SCHEMBL6174534 0.78 CYP2C9 (0.39) MAPTCYP3A4PPARGHPGDLMNA
SCHEMBL6176108 0.77 CYP2C9 (0.38) KDM4EPPARGHPGDLMNAALDH1A1
SCHEMBL6175505 0.76 GAA (0.33) KDM4EMAPTHPGDTP53LMNA
SCHEMBL6174313 0.75 EGFR (0.37) KDM4EMAPTCYP3A4ALOX15PPARG
SCHEMBL6175689 0.74 EGFR (0.36) KDM4EMAPTCYP3A4ALOX15PPARG

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-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