SCHEMBL7449202

SCHEMBL7449202

O=c1oc(CC2(CC3CCOCC3)CC2)cc(O)c1C(c1cccs1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.38
NQO1 P15559 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
SCHEMBL7444575 0.95 ICMT (0.35) ICMTNQO1
SCHEMBL7447997 0.91 ICMT (0.33) ICMTNQO1
SCHEMBL7435600 0.87 NQO1 (0.31) ICMTNQO1
SCHEMBL7446268 0.87 HPGD (0.36)
SCHEMBL7483350 0.86 NQO1 (0.34) ICMTNQO1
SCHEMBL7450257 0.85 ALDH1A1 (0.36)
SCHEMBL7443868 0.85 ALDH1A1 (0.31)
SCHEMBL7443227 0.84 LMNA (0.33) ICMTNQO1
SCHEMBL7445304 0.82 NQO1 (0.31) ICMTNQO1
SCHEMBL7445490 0.82 ERCC5 (0.31) NQO1

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