SCHEMBL6174697

SCHEMBL6174697

O=c1oc(CCc2ccccc2)cc(O)c1C(c1ccccc1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.43
HTR3A P46098 1/20 0.43
DAO P14920 2/20 0.41
PPARG P37231 1/20 0.39
PDE5A O76074 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE3A Q14432 1/20 0.35
CYP2C9 P11712 3/20 0.34
VKORC1 Q9BQB6 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 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
SCHEMBL6174391 0.93 HTR2B (0.46) HTR2BHTR3ADAONPC1RAB9A
SCHEMBL6173304 0.93 HTR2B (0.43) HTR2BHTR3ANPC1RAB9ASMN1; SMN2
SCHEMBL6173485 0.92 HTR2B (0.37) HTR2BHTR3ADAOPPARGCYP2C9
SCHEMBL6175087 0.92 HTR2B (0.39) HTR2BHTR3ADAO
SCHEMBL6174618 0.92 HTR2B (0.37) HTR2BHTR3ADAO
SCHEMBL6177695 0.88 CYP2C9 (0.38) CYP2C9VKORC1
SCHEMBL6174784 0.87 MEN1 (0.35) CYP2C9VKORC1
SCHEMBL9201359 0.87 CYP2C9 (0.33) HTR2BHTR3ADAOSMN1; SMN2CYP2C9
SCHEMBL6175205 0.86 HTR2B (0.46) HTR2BHTR3ADAOPPARGPDE5A
SCHEMBL27395375 0.86 AGTR2 (0.35) HTR2BHTR3ADAOCYP2C9VKORC1

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