SCHEMBL8969313

SCHEMBL8969313

COCCOc1ccc(C#CC2(O)CN3CCC2CC3)cc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.62
MMP2 P08253 6/20 0.62
FDFT1 P37268 1/20 0.57
MMP12 P39900 1/20 0.56

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 0.89 MMP13 (0.64) MMP13MMP2FDFT1MMP12
SCHEMBL8968959 0.89 MMP13 (0.65) MMP13MMP2FDFT1
Hydrochloric Acid SCHEMBL8772652 0.88 MMP13 (0.62) MMP13MMP2FDFT1MMP12
SCHEMBL8772564 0.87 MMP13 (0.61) MMP13MMP2FDFT1MMP12
SCHEMBL8969719 0.85 MMP13 (0.57) MMP13MMP2FDFT1
SCHEMBL9433014 0.85 MMP13 (0.58) MMP13MMP2FDFT1MMP12
SCHEMBL8973148 0.85 FDFT1 (0.60) MMP13MMP2FDFT1
SCHEMBL8968494 0.84 MMP13 (0.51) MMP13MMP2FDFT1
SCHEMBL8969567 0.84 FDFT1 (0.51) MMP13MMP2FDFT1
SCHEMBL9432559 0.84 MMP13 (0.51) MMP13MMP2FDFT1

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
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed