SCHEMBL8772706

SCHEMBL8772706

CCCCCc1ccc(C#CC2(O)CN3CCC2CC3)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.63
MMP13 P45452 16/20 0.54
MMP2 P08253 6/20 0.51

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
SCHEMBL8969941 0.86 FDFT1 (0.61) FDFT1MMP13MMP2
SCHEMBL8772564 0.85 MMP13 (0.61) FDFT1MMP13MMP2
Hydrochloric Acid SCHEMBL8772652 0.83 MMP13 (0.62) FDFT1MMP13MMP2
SCHEMBL8772597 0.79 MMP13 (0.58) FDFT1MMP13MMP2
SCHEMBL8648805 0.77 FDFT1 (0.53) FDFT1MMP13MMP2
SCHEMBL8973148 0.76 FDFT1 (0.60) FDFT1MMP13MMP2
SCHEMBL8772636 0.74 MMP13 (0.90) FDFT1MMP13MMP2
SCHEMBL8592665 0.70 MMP13 (0.53) FDFT1MMP13MMP2
SCHEMBL9328232 0.69 HSD17B10 (0.61)
SCHEMBL8433963 0.69 HSD17B10 (0.61)

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