SCHEMBL7435600

SCHEMBL7435600

CCC(c1cccs1)c1c(O)cc(CC2(CC3CCOCC3)CC2)oc1=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.31
ICMT O60725 1/20 0.30

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 0.95 ERCC5 (0.31) NQO1
SCHEMBL7438652 0.91 FEN1 (0.33)
SCHEMBL7445249 0.88 HPGD (0.36)
SCHEMBL7449202 0.87 ICMT (0.38) NQO1ICMT
SCHEMBL7439732 0.86 ALDH1A1 (0.36)
SCHEMBL7440180 0.86
SCHEMBL7481812 0.84 NQO1 (0.34) NQO1
SCHEMBL7447160 0.82 MAPT (0.34) NQO1
SCHEMBL7444575 0.82 ICMT (0.35) NQO1ICMT
SCHEMBL7444881 0.81

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