SCHEMBL7445304

SCHEMBL7445304

O=c1oc(CC2(Cc3ccsc3)CC2)cc(O)c1C(c1cccs1)C1CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.31
ICMT O60725 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
SCHEMBL7483350 0.88 NQO1 (0.34) NQO1ICMT
SCHEMBL7448078 0.87 NQO1 (0.31) NQO1ICMT
SCHEMBL7439791 0.86 ALDH1A1 (0.31)
SCHEMBL7443227 0.85 LMNA (0.33) NQO1ICMT
SCHEMBL7449294 0.85 NQO1 (0.32) NQO1
SCHEMBL7449202 0.82 ICMT (0.38) NQO1ICMT
SCHEMBL7446268 0.81 HPGD (0.36)
SCHEMBL7444575 0.81 ICMT (0.35) NQO1ICMT
SCHEMBL7447997 0.80 ICMT (0.33) NQO1ICMT
SCHEMBL7450257 0.80 ALDH1A1 (0.36)

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 2 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