SCHEMBL7438652

SCHEMBL7438652

CCC(c1cccs1)c1c(O)cc(CC2(CC3CCCOC3)CC2)oc1=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 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
SCHEMBL7445490 0.96 ERCC5 (0.31) FEN1
SCHEMBL7435600 0.91 NQO1 (0.31)
SCHEMBL7447997 0.87 ICMT (0.33) FEN1MEN1NPC1ALDH1A1RAB9A
SCHEMBL7445249 0.87 HPGD (0.36) MEN1ALDH1A1KMT2A
SCHEMBL7450447 0.87 FEN1 (0.30) FEN1
SCHEMBL7439732 0.86 ALDH1A1 (0.36) MEN1ALDH1A1KMT2A
SCHEMBL7444575 0.83 ICMT (0.35) FEN1
SCHEMBL7444881 0.82
SCHEMBL7481812 0.82 NQO1 (0.34)
SCHEMBL7439058 0.80 MEN1 (0.34) FEN1MEN1NPC1ALDH1A1RAB9A

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
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-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
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