SCHEMBL9196152

SCHEMBL9196152

O=c1oc(CC(CC2CC2)C2CCCOC2)cc(O)c1C(c1ccccc1)C1CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.30
VKORC1 Q9BQB6 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
SCHEMBL9193978 0.81 MAPK1 (0.34)
SCHEMBL6174348 0.80 MAPK1 (0.34) CYP2C9VKORC1
SCHEMBL9198737 0.79 CYP2C9 (0.34) CYP2C9VKORC1
SCHEMBL7374795 0.79
SCHEMBL6176220 0.79 VKORC1 (0.37) CYP2C9VKORC1
SCHEMBL9196131 0.79 MEN1 (0.34)
SCHEMBL9198549 0.79 MEN1 (0.34)
SCHEMBL27333913 0.78 VKORC1 (0.36) CYP2C9VKORC1
SCHEMBL6174524 0.78 CYP2C9 (0.36) CYP2C9VKORC1
SCHEMBL6174135 0.77 CYP2D6 (0.32) CYP2C9VKORC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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