SCHEMBL8968955

SCHEMBL8968955

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

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 3/20 0.52
MMP13 P45452 12/20 0.49
MMP2 P08253 4/20 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
SCHEMBL8969498 0.86 FDFT1 (0.55) FDFT1MMP13MMP2
SCHEMBL8969796 0.82 FDFT1 (0.51) FDFT1MMP13MMP2
SCHEMBL8421721 0.81 FDFT1 (0.74) FDFT1MMP13MMP2
SCHEMBL8970070 0.75 FDFT1 (0.66) FDFT1MMP13MMP2
SCHEMBL8968795 0.74 FDFT1 (0.71) FDFT1MMP13MMP2
SCHEMBL8968317 0.74 FDFT1 (0.53) FDFT1MMP13MMP2
SCHEMBL8968863 0.74 FDFT1 (0.66) FDFT1MMP13MMP2
SCHEMBL8968799 0.73 FDFT1 (0.75) FDFT1MMP13MMP2
SCHEMBL8772580 0.72 FDFT1 (0.71) FDFT1MMP13MMP2
SCHEMBL8968958 0.72 MMP13 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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