SCHEMBL8772804

SCHEMBL8772804

C=CCc1cc(C(=O)OCC)ccc1C#CC1(O)CN2CCC1CC2

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 2/20 0.73
MMP13 P45452 13/20 0.60
MMP2 P08253 5/20 0.44
MMP12 P39900 1/20 0.42

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
SCHEMBL8968803 0.91 FDFT1 (0.65) FDFT1MMP13MMP2MMP12
SCHEMBL8968489 0.89 FDFT1 (0.61) FDFT1MMP13MMP2MMP12
SCHEMBL8968319 0.89 FDFT1 (0.68) FDFT1MMP13MMP2MMP12
SCHEMBL8968321 0.89 FDFT1 (0.78) FDFT1MMP13MMP2MMP12
SCHEMBL8772583 0.88 MMP13 (0.63) FDFT1MMP13MMP2MMP12
SCHEMBL8772671 0.88 FDFT1 (0.65) FDFT1MMP13MMP2MMP12
SCHEMBL8968958 0.86 MMP13 (0.59) FDFT1MMP13MMP2
SCHEMBL9432075 0.86 FDFT1 (0.84) FDFT1MMP13MMP2
SCHEMBL27437221 0.85 FDFT1 (0.77) FDFT1MMP13MMP2
SCHEMBL9432346 0.84 FDFT1 (0.73) 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 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