SCHEMBL7450255

SCHEMBL7450255

O=c1oc(C(Cc2ccc(Cl)cc2)CC2CC2)cc(O)c1C(c1cccs1)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.33
NPY5R Q15761 1/20 0.31
MAPT P10636 1/20 0.31
ICMT O60725 1/20 0.31
TP53 P04637 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
SCHEMBL7450365 0.93 NQO1 (0.34) NQO1ICMT
SCHEMBL7439540 0.92 NQO1 (0.34) NQO1NPY5RICMT
SCHEMBL7445237 0.91 NQO1 (0.33) NQO1NPY5RICMT
SCHEMBL7444883 0.91 NQO1 (0.33) NQO1ICMTTP53
SCHEMBL7443469 0.90 NQO1 (0.34) NQO1MAPTICMTTP53
SCHEMBL7443496 0.90 NQO1 (0.32) NQO1
SCHEMBL7446185 0.89 L3MBTL1 (0.36) NQO1MAPTTP53
SCHEMBL7443597 0.87 MAPT (0.34) NQO1NPY5RMAPTTP53
SCHEMBL9280111 0.86 TDP1 (0.35) NQO1MAPT
SCHEMBL7448785 0.85 ALDH1A1 (0.32) MAPT

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 5 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
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