SCHEMBL6174385

SCHEMBL6174385

O=c1oc(CC(O)c2ccco2)cc(O)c1C(c1ccccc1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
NQO1 P15559 1/20 0.34
CYP2C9 P11712 4/20 0.33
VKORC1 Q9BQB6 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 2/20 0.32
HSD17B2 P37059 1/20 0.32
PKM P14618 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 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
SCHEMBL6174524 0.89 CYP2C9 (0.36) NQO1CYP2C9VKORC1
SCHEMBL6174739 0.84 CYP2C9 (0.32) MAPTTP53LMNACYP2C9VKORC1
SCHEMBL6176220 0.83 VKORC1 (0.37) MAPTTP53LMNANQO1CYP2C9
SCHEMBL6174682 0.83 CYP2C9 (0.35) MAPTTP53LMNACYP2C9VKORC1
SCHEMBL6174320 0.83 MAPT (0.39) MAPTTP53NQO1CYP2C9VKORC1
SCHEMBL6174957 0.83 IDO1 (0.35)
SCHEMBL6174904 0.82 FFAR1 (0.33) MAPTTP53LMNACYP2C9VKORC1
SCHEMBL6175580 0.82 IDO1 (0.39) MAPTHSD17B2
SCHEMBL27333913 0.82 VKORC1 (0.36) MAPTTP53LMNANQO1CYP2C9
SCHEMBL9193220 0.82 MAPT (0.40) MAPTTP53LMNATSHRPKM

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 5 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