SCHEMBL7474994

SCHEMBL7474994

CCC(CC1CCCCO1)c1cc(O)c(C(CC)c2cccs2)c(=O)o1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 9/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 4/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 6/20 0.34
HTT P42858 3/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
CYP1A2 P05177 1/20 0.34
LMNA P02545 3/20 0.34
NQO1 P15559 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7444808 0.98 HPGD (0.39) HPGDHSD17B10POLBALDH1A1MAPT
SCHEMBL7444011 0.89 HPGD (0.37) HPGDHSD17B10POLBALDH1A1MAPT
SCHEMBL7450139 0.87 HPGD (0.38) HPGDHSD17B10POLBALDH1A1MAPT
SCHEMBL7447423 0.85 ALDH1A1 (0.34) HPGDPOLBALDH1A1MAPTKMT2A
SCHEMBL7435888 0.84 NQO1 (0.35) ALDH1A1KMT2AMEN1NQO1TSHR
SCHEMBL7439058 0.84 MEN1 (0.34) ALDH1A1KMT2AMEN1NQO1
SCHEMBL7473213 0.83 ALDH1A1 (0.35) HPGDPOLBALDH1A1MAPTKMT2A
SCHEMBL7450971 0.83 NQO1 (0.34) NQO1
SCHEMBL7439732 0.81 ALDH1A1 (0.36) HPGDHSD17B10POLBALDH1A1MAPT
SCHEMBL6178513 0.80 HPGD (0.41) HPGDALDH1A1KDM4ECYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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