SCHEMBL8772583

SCHEMBL8772583

CCCc1cc(C(=O)OCC)ccc1C#CC1(O)CN2CCC1CC2

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 13/20 0.63
FDFT1 P37268 2/20 0.59
MMP2 P08253 7/20 0.46
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
SCHEMBL8968958 0.91 MMP13 (0.59) MMP13FDFT1MMP2
SCHEMBL8772804 0.88 FDFT1 (0.73) MMP13FDFT1MMP2MMP12
SCHEMBL8772636 0.81 MMP13 (0.90) MMP13FDFT1MMP2MMP12
SCHEMBL8772840 0.80 MMP13 (0.70) MMP13FDFT1MMP2
SCHEMBL8968803 0.78 FDFT1 (0.65) MMP13FDFT1MMP2MMP12
SCHEMBL8968321 0.77 FDFT1 (0.78) MMP13FDFT1MMP2MMP12
SCHEMBL8968489 0.77 FDFT1 (0.61) MMP13FDFT1MMP2MMP12
Hydrochloric Acid SCHEMBL8772550 0.76 MMP13 (0.45) MMP13FDFT1
SCHEMBL8969498 0.76 FDFT1 (0.55) MMP13FDFT1MMP2
SCHEMBL6382345 0.75 FDFT1 (0.54) 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 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