SCHEMBL7447190

SCHEMBL7447190

CCC(Cc1ccoc1)c1cc(O)c(C(CC)c2ccc(C)s2)c(=O)o1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 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
SCHEMBL7443077 0.88 CYP2C9 (0.37) CYP2C9
SCHEMBL7442732 0.87 ESR1 (0.39) CYP2C9
SCHEMBL7445308 0.87 CYP2C9 (0.32) CYP2C9
SCHEMBL7449838 0.86
SCHEMBL7438454 0.86 ESR2 (0.33) CYP2C9
SCHEMBL7443923 0.85 CYP2C9 (0.31) CYP2C9
SCHEMBL7445588 0.85 MAPT (0.39) CYP2C9
SCHEMBL7440443 0.84 NQO1 (0.36) CYP2C9
SCHEMBL7444017 0.84 CYP2C9 (0.31) CYP2C9
SCHEMBL7441942 0.83 MAPT (0.40)

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
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