SCHEMBL8969946

SCHEMBL8969946

CCOC(=O)CCOc1ccc(C#CC2(O)CN3CCC2CC3)cc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 2/20 0.73
MMP13 P45452 17/20 0.69
MMP2 P08253 6/20 0.57
MMP12 P39900 1/20 0.52

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
SCHEMBL9432198 0.90 FDFT1 (0.76) FDFT1MMP13MMP2MMP12
SCHEMBL8772607 0.85 MMP13 (0.64) FDFT1MMP13MMP2MMP12
Hydrochloric Acid SCHEMBL8772652 0.84 MMP13 (0.62) FDFT1MMP13MMP2MMP12
SCHEMBL8772580 0.83 FDFT1 (0.71) FDFT1MMP13MMP2
SCHEMBL8772564 0.83 MMP13 (0.61) FDFT1MMP13MMP2MMP12
SCHEMBL8772636 0.82 MMP13 (0.90) FDFT1MMP13MMP2MMP12
SCHEMBL8969313 0.82 MMP13 (0.62) FDFT1MMP13MMP2MMP12
SCHEMBL8931430 0.82 MMP13 (0.66) FDFT1MMP13MMP2MMP12
SCHEMBL8968959 0.80 MMP13 (0.65) FDFT1MMP13MMP2
SCHEMBL8772840 0.76 MMP13 (0.70) 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 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