SCHEMBL7444575

SCHEMBL7444575

O=c1oc(CC2(CC3CCOC3)CC2)cc(O)c1C(c1cccs1)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.35
NQO1 P15559 1/20 0.31
ERCC5 P28715 1/20 0.30
FEN1 P39748 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
SCHEMBL7447997 0.96 ICMT (0.33) ICMTNQO1FEN1
SCHEMBL7449202 0.95 ICMT (0.38) ICMTNQO1
SCHEMBL7445490 0.87 ERCC5 (0.31) NQO1ERCC5FEN1
SCHEMBL7445467 0.85 ALDH1A1 (0.30)
SCHEMBL7446268 0.85 HPGD (0.36)
SCHEMBL7483350 0.85 NQO1 (0.34) ICMTNQO1
SCHEMBL7450257 0.84 ALDH1A1 (0.36)
SCHEMBL7438652 0.83 FEN1 (0.33) FEN1
SCHEMBL7443227 0.82 LMNA (0.33) ICMTNQO1
SCHEMBL7435600 0.82 NQO1 (0.31) ICMTNQO1

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-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-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