SCHEMBL8772646

SCHEMBL8772646

CCCOC(=O)c1ccc(C#CC2(O)CN3CCC2CC3)cc1O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.56
MMP13 P45452 18/20 0.56
MMP2 P08253 7/20 0.48
MMP12 P39900 1/20 0.44

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 0.78 MMP13 (0.52) FDFT1MMP13MMP2MMP12
SCHEMBL8772636 0.76 MMP13 (0.90) FDFT1MMP13MMP2MMP12
SCHEMBL8969791 0.74 FDFT1 (0.64) FDFT1MMP13MMP2
Hydrochloric Acid SCHEMBL8772652 0.73 MMP13 (0.62) FDFT1MMP13MMP2MMP12
SCHEMBL8969946 0.72 FDFT1 (0.73) FDFT1MMP13MMP2MMP12
SCHEMBL8919898 0.71 MYC (0.37)
SCHEMBL8919909 0.71 SERPINE1 (0.36)
SCHEMBL8969719 0.69 MMP13 (0.57) FDFT1MMP13MMP2
SCHEMBL8648805 0.69 FDFT1 (0.53) FDFT1MMP13MMP2
SCHEMBL8772597 0.69 MMP13 (0.58) FDFT1MMP13MMP2MMP12

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
EP-0654032-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1997-10-15 EP disclosed
EP-0654032-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS. ZENECA LTD (GB) 1995-05-24 EP disclosed
WO-1994003451-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-02-17 WO disclosed