SCHEMBL8968958

SCHEMBL8968958

CCOC(=O)c1ccc(C#CC2(O)CN3CCC2CC3)c(CCC=O)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 13/20 0.59
FDFT1 P37268 2/20 0.57
MMP2 P08253 6/20 0.43

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
SCHEMBL8772583 0.91 MMP13 (0.63) MMP13FDFT1MMP2
SCHEMBL8772804 0.86 FDFT1 (0.73) MMP13FDFT1MMP2
SCHEMBL8772636 0.79 MMP13 (0.90) MMP13FDFT1MMP2
SCHEMBL8772840 0.77 MMP13 (0.70) MMP13FDFT1MMP2
SCHEMBL8968803 0.77 FDFT1 (0.65) MMP13FDFT1MMP2
SCHEMBL8968489 0.76 FDFT1 (0.61) MMP13FDFT1MMP2
SCHEMBL8968321 0.76 FDFT1 (0.78) MMP13FDFT1MMP2
SCHEMBL8968319 0.76 FDFT1 (0.68) MMP13FDFT1MMP2
SCHEMBL8969501 0.74 FDFT1 (0.81) MMP13FDFT1MMP2
SCHEMBL8772671 0.73 FDFT1 (0.65) MMP13FDFT1MMP2

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-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed