SCHEMBL8968455

SCHEMBL8968455

C=CCc1cc(CC(=O)CC)ccc1C#CC1(O)CN2CCC1CC2

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 3/20 0.71
MMP13 P45452 11/20 0.41
MMP2 P08253 6/20 0.41

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
SCHEMBL9432075 0.88 FDFT1 (0.84) FDFT1MMP13MMP2
SCHEMBL8969557 0.84 FDFT1 (0.78) FDFT1MMP13MMP2
SCHEMBL8969625 0.84 FDFT1 (0.67) FDFT1MMP13MMP2
SCHEMBL8969707 0.84 FDFT1 (0.67) FDFT1MMP13MMP2
SCHEMBL8972043 0.84 FDFT1 (0.72) FDFT1MMP13MMP2
Hydrochloric Acid SCHEMBL8521280 0.83 FDFT1 (0.77) FDFT1MMP13MMP2
SCHEMBL8968328 0.83 FDFT1 (0.76) FDFT1MMP13MMP2
SCHEMBL8968715 0.83 FDFT1 (1.00) FDFT1MMP13MMP2
SCHEMBL8968567 0.83 FDFT1 (0.71) FDFT1MMP13MMP2
Hydrochloric Acid SCHEMBL8968488 0.83 FDFT1 (0.66) FDFT1MMP13MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed