SCHEMBL8709394

SCHEMBL8709394

Oc1ccc(-c2ccc(C#CC3(O)CN4CCC3CC4)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 17/20 0.58
FDFT1 P37268 1/20 0.55
MMP2 P08253 5/20 0.54
MMP12 P39900 1/20 0.48

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
SCHEMBL8931446 0.89 MMP13 (0.61) MMP13FDFT1MMP2
SCHEMBL8931458 0.88 MMP13 (0.59) MMP13FDFT1MMP2MMP12
SCHEMBL8772621 0.83 MMP13 (0.60) MMP13FDFT1MMP2MMP12
SCHEMBL3259548 0.82 MMP13 (0.63) MMP13FDFT1MMP2MMP12
SCHEMBL8931430 0.82 MMP13 (0.66) MMP13FDFT1MMP2MMP12
SCHEMBL8772700 0.80 MMP13 (0.86) MMP13FDFT1MMP2MMP12
SCHEMBL8593465 0.79 MMP13 (0.57) MMP13FDFT1MMP2
SCHEMBL8593082 0.78 MMP13 (0.50) MMP13FDFT1MMP2
SCHEMBL8592665 0.78 MMP13 (0.53) MMP13FDFT1MMP2MMP12
SCHEMBL8590121 0.76 FDFT1 (0.53) MMP13FDFT1MMP2MMP12

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654315-A ENZYME INHIBITORS AS ANTICHOLESTEROL AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1997-08-05 US claimed
EP-0626960-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-12-07 EP claimed
US-5770608-A ANTICHOLESTEROL AGENTS FOR TREATING CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-06-23 US disclosed
US-5654315-A ENZYME INHIBITORS AS ANTICHOLESTEROL AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1997-08-05 US disclosed
WO-1993013096-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-08 WO disclosed