SCHEMBL6178513

SCHEMBL6178513

CCC(CC1CCCCO1)c1cc(O)c(C(c2ccccc2)C2CC2)c(=O)o1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GPR88 Q9GZN0 1/20 0.34

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
SCHEMBL6174809 0.98 HPGD (0.42) HPGDCYP2C9CYP3A4CYP2D6PKM
SCHEMBL6176564 0.87 CYP2C9 (0.39) HPGDCYP2C9ALDH1A1TDP1KDM4E
SCHEMBL6175688 0.86 CYP2C9 (0.38) CYP2C9
SCHEMBL6174613 0.86 CYP2C9 (0.44) CYP2C9ALDH1A1KDM4E
SCHEMBL7444011 0.85 HPGD (0.37) HPGDALDH1A1KDM4E
SCHEMBL6175017 0.85 CYP2C9 (0.40) CYP2C9ALDH1A1KDM4E
SCHEMBL9289508 0.84 HPGD (0.41) HPGDCYP2C9CYP3A4CYP2D6PKM
SCHEMBL6174651 0.84 CYP2C9 (0.36) HPGDCYP2C9CYP3A4CYP2D6PKM
SCHEMBL7443483 0.84 ALDH1A1 (0.33) HPGDPKMALDH1A1TDP1RAB9A
SCHEMBL6185573 0.83 CYP2C9 (0.38) CYP2C9ALDH1A1KDM4E

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