SCHEMBL8968965

SCHEMBL8968965

COCCOCc1ccc(C#CC2(O)CN3CCC2CC3)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 4/20 0.50
MMP13 P45452 10/20 0.43
MMP2 P08253 4/20 0.43

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
SCHEMBL8969377 0.84 FDFT1 (0.64) FDFT1MMP13MMP2
SCHEMBL8973148 0.83 FDFT1 (0.60) FDFT1MMP13MMP2
SCHEMBL8968494 0.74 MMP13 (0.51) FDFT1MMP13MMP2
SCHEMBL8969567 0.74 FDFT1 (0.51) FDFT1MMP13MMP2
SCHEMBL8969791 0.74 FDFT1 (0.64) FDFT1MMP13MMP2
SCHEMBL6377330 0.73 FDFT1 (0.77) FDFT1MMP13MMP2
SCHEMBL8969941 0.72 FDFT1 (0.61) FDFT1MMP13MMP2
SCHEMBL8968895 0.72 FDFT1 (0.70) FDFT1MMP13MMP2
SCHEMBL8969313 0.71 MMP13 (0.62) FDFT1MMP13MMP2
SCHEMBL7164085 0.71 FDFT1 (0.87) FDFT1MMP13MMP2

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