SCHEMBL8969537

SCHEMBL8969537

CCOCCOC(=O)c1cc(C#CC2(O)CN3CCC2CC3)ccc1OCCOC

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 17/20 0.51
FDFT1 P37268 2/20 0.51
MMP2 P08253 7/20 0.48
MMP12 P39900 1/20 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
SCHEMBL9431924 0.95 MMP13 (0.52) MMP13FDFT1MMP2MMP12
SCHEMBL8969719 0.81 MMP13 (0.57) MMP13FDFT1MMP2
SCHEMBL8969204 0.80 MMP13 (0.52) MMP13FDFT1MMP2
SCHEMBL9432559 0.79 MMP13 (0.51) MMP13FDFT1MMP2
SCHEMBL8968494 0.79 MMP13 (0.51) MMP13FDFT1MMP2
SCHEMBL8772646 0.76 FDFT1 (0.56) MMP13FDFT1MMP2MMP12
SCHEMBL8969313 0.76 MMP13 (0.62) MMP13FDFT1MMP2MMP12
SCHEMBL9433100 0.73 FDFT1 (0.53) MMP13FDFT1MMP2
SCHEMBL8973148 0.73 FDFT1 (0.60) MMP13FDFT1MMP2
SCHEMBL8772840 0.73 MMP13 (0.70) 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