SCHEMBL7445237

SCHEMBL7445237

Cc1ccc(CC(CC2CC2)c2cc(O)c(C(c3cccs3)C3CC3)c(=O)o2)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
NPY5R Q15761 1/20 0.31
ICMT O60725 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL7450255 0.91 NQO1 (0.33) NQO1NPY5RICMT
SCHEMBL7444883 0.91 NQO1 (0.33) NQO1MEN1KMT2ALMNAICMT
SCHEMBL7437376 0.91 NQO1 (0.34) NQO1MEN1KMT2ADRD4DRD3
SCHEMBL7446185 0.91 L3MBTL1 (0.36) NQO1ALDH1A1MAPK1LMNANPC1
SCHEMBL7443496 0.90 NQO1 (0.32) NQO1KMT2ARAB9A
SCHEMBL7437094 0.88 NQO1 (0.33) NQO1MEN1KMT2AALDH1A1MAPK1
SCHEMBL7447062 0.86 ALDH1A1 (0.30) KMT2AALDH1A1
SCHEMBL7443698 0.84 ESR1 (0.35) NQO1MEN1KMT2AALDH1A1LMNA

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
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
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 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