SCHEMBL6174297

SCHEMBL6174297

CCC(Cc1ccccc1)c1cc(O)c(C(c2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2)C2CC2)c(=O)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 1/20 0.38
ATIC P31939 1/20 0.37
AR P10275 1/20 0.37
PARP1 P09874 1/20 0.37
BRPF1 P55201 1/20 0.36
ADRB3 P13945 1/20 0.36
LSS P48449 1/20 0.35
SMARCA2 P51531 1/20 0.35
CXCR2 P25025 1/20 0.35
CYP19A1 P11511 1/20 0.35
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
PTGIR P43119 1/20 0.34
GPR27 Q9NS67 2/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
AVPR2 P30518 1/20 0.34
BRD4 O60885 1/20 0.34
EEF2K O00418 1/20 0.34
THRB P10828 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
SCHEMBL6173713 0.93 PTGES (0.38) PGAM1ADRB3
SCHEMBL7450465 0.92 ATIC (0.38) PGAM1ATICARPARP1BRPF1
SCHEMBL7482607 0.91 ALDH1A1 (0.40) PGAM1THRB
SCHEMBL6174303 0.91 ITGA1 (0.40) PGAM1ARHSD17B2GPR27
SCHEMBL7440371 0.90 HDAC1 (0.37) PTGIRGPR27
SCHEMBL6172890 0.90 LIMK2 (0.39) PGAM1CYP19A1THRB
SCHEMBL7447436 0.90 LIMK2 (0.37) PGAM1HSD17B2
SCHEMBL6175855 0.89 CYP19A1 (0.41) CYP19A1GPR27AVPR2THRB
SCHEMBL6176577 0.89 IKBKB (0.44) PGAM1HSD17B2
SCHEMBL7439445 0.89 LIMK2 (0.36) PGAM1

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