SCHEMBL6175973

SCHEMBL6175973

CCC(Cc1ccccc1)c1cc(O)c(C(c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)C2CC2)c(=O)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
HSP90AA1 P07900 4/20 0.39
HSP90AB1 P08238 4/20 0.39
AR P10275 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PSMB5 P28074 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 2/20 0.35
ITGA1 P56199 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
SLC16A3 O15427 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
SCHEMBL7443321 0.91 HSP90AA1 (0.38) HSD11B1HSP90AA1HSP90AB1HPGDHSD17B10
SCHEMBL6172890 0.90 LIMK2 (0.39) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL7403425 0.90 PTPN1 (0.34)
SCHEMBL6173713 0.88 PTGES (0.38) ALDH1A1
SCHEMBL7448174 0.86 HSP90AA1 (0.38) HSD11B1HSP90AA1HSP90AB1ARHPGD
SCHEMBL7487811 0.86 ADRB3 (0.33)
SCHEMBL6174303 0.85 ITGA1 (0.40) ARMAPTMEN1KMT2ATP53
SCHEMBL7482607 0.85 ALDH1A1 (0.40) HSP90AA1HSP90AB1MAPTALDH1A1LMNA
SCHEMBL6174533 0.85 MAP1LC3B (0.36) MAPTTP53
SCHEMBL6176577 0.85 IKBKB (0.44) HSP90AA1HSP90AB1MAPTALDH1A1LMNA

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