SCHEMBL6174533

SCHEMBL6174533

CCCS(=O)(=O)Nc1cccc(C(c2c(O)cc(C(CC)Cc3ccccc3)oc2=O)C2CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 3/20 0.36
BRAF P15056 1/20 0.34
MAP1LC3A Q9H492 2/20 0.33
BRD4 O60885 2/20 0.33
CYP2D6 P10635 3/20 0.33
OPRK1 P41145 3/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
OPRM1 P35372 1/20 0.33
ADRB3 P13945 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNA5 P22460 1/20 0.33
KCNK3 O14649 1/20 0.32
GAK O14976 1/20 0.32
STK16 O75716 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
BMP2K Q9NSY1 1/20 0.32

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
SCHEMBL7487811 0.95 ADRB3 (0.33) MAP1LC3BMAP1LC3ACTSDBACE1OPRM1
SCHEMBL6173713 0.90 PTGES (0.38) MAP1LC3BMAP1LC3ACTSDBACE1ADRB3
SCHEMBL7403425 0.89 PTPN1 (0.34) MAP1LC3BMAP1LC3ACTSDBACE1OPRM1
SCHEMBL7482607 0.87 ALDH1A1 (0.40) MAP1LC3BMAP1LC3ATP53GAAMAPT
SCHEMBL6174303 0.87 ITGA1 (0.40) CTSDBACE1TP53GAAMAPT
SCHEMBL7447436 0.87 LIMK2 (0.37) TP53KCNA5
SCHEMBL7440371 0.87 HDAC1 (0.37) MAP1LC3BMAP1LC3ACTSDBACE1SMN1; SMN2
SCHEMBL6172890 0.87 LIMK2 (0.39) TP53GAAMAPTKCNA5
SCHEMBL6173717 0.87 ALDH1A1 (0.37) GAAMAPT
SCHEMBL6173714 0.87 ALDH1A1 (0.37) GAAMAPT

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 7 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