SCHEMBL8772564

SCHEMBL8772564

CCCCCOc1ccc(C#CC2(O)CN3CCC2CC3)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.61
FDFT1 P37268 1/20 0.59
MMP2 P08253 6/20 0.58
MMP12 P39900 1/20 0.55

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
SCHEMBL8772607 0.98 MMP13 (0.64) MMP13FDFT1MMP2MMP12
Hydrochloric Acid SCHEMBL8772652 0.96 MMP13 (0.62) MMP13FDFT1MMP2MMP12
SCHEMBL8969313 0.87 MMP13 (0.62) MMP13FDFT1MMP2MMP12
SCHEMBL8968959 0.86 MMP13 (0.65) MMP13FDFT1MMP2
SCHEMBL8772706 0.85 FDFT1 (0.63) MMP13FDFT1MMP2
SCHEMBL8648805 0.84 FDFT1 (0.53) MMP13FDFT1MMP2
SCHEMBL8969946 0.83 FDFT1 (0.73) MMP13FDFT1MMP2MMP12
SCHEMBL8969791 0.81 FDFT1 (0.64) MMP13FDFT1MMP2
SCHEMBL9284982 0.79 MMP13 (0.54) MMP13MMP2
SCHEMBL8969941 0.78 FDFT1 (0.61) 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 6 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 claimed
EP-0654032-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS. ZENECA LTD (GB) 1995-05-24 EP claimed
WO-1994003451-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-02-17 WO claimed
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